2-[7-chloranyl-1-[(4-chloranyl-1,3-benzothiazol-2-yl)methyl]-2-oxidanylidene-3,4-dihydroquinolin-3-yl]ethanoic acid; ethyl 2-[1-[[5,7-bis(chloranyl)-1,3-benzothiazol-2-yl]methyl]-6-methyl-2-oxidanylidene-3,4-dihydroquinolin-3-yl]ethanoate

Systemtic Name: 2-[7-chloranyl-1-[(4-chloranyl-1,3-benzothiazol-2-yl)methyl]-2-oxidanylidene-3,4-dihydroquinolin-3-yl]ethanoic acid; ethyl 2-[1-[[5,7-bis(chloranyl)-1,3-benzothiazol-2-yl]methyl]-6-methyl-2-oxidanylidene-3,4-dihydroquinolin-3-yl]ethanoate Openeye Name: 2-[7-chloro-1-[(4-chloro-1,3-benzothiazol-2-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]acetic acid; ethyl 2-[1-[(5,7-dichloro-1,3-benzothiazol-2-yl)methyl]-6-methyl-2-oxo-3,4-dihydroquinolin-3-yl]acetate CAS Name: 2-[7-chloro-1-[(4-chloro-1,3-benzothiazol-2-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]acetic acid; 2-[1-[(5,7-dichloro-1,3-benzothiazol-2-yl)methyl]-6-methyl-2-oxo-3,4-dihydroquinolin-3-yl]acetic acid ethyl ester IUPAC Name: 2-[7-chloro-1-[(4-chloro-1,3-benzothiazol-2-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]acetic acid; ethyl 2-[1-[(5,7-dichloro-1,3-benzothiazol-2-yl)methyl]-6-methyl-2-oxo-3,4-dihydroquinolin-3-yl]acetate Traditional Name: 2-[7-chloro-1-[(4-chloro-1,3-benzothiazol-2-yl)methyl]-2-keto-3,4-dihydroquinolin-3-yl]acetic acid; 2-[1-[(5,7-dichloro-1,3-benzothiazol-2-yl)methyl]-2-keto-6-methyl-3,4-dihydroquinolin-3-yl]acetic acid ethyl ester Formula: C41H34Cl4N4O6S2 MolecularWeight: 884.67386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CC2=C(C=CC(=C2)C)N(C1=O)CC3=NC4=CC(=CC(=C4S3)Cl)Cl.C1C(C(=O)N(C2=C1C=CC(=C2)Cl)CC3=NC4=C(S3)C=CC=C4Cl)CC(=O)O

Isomeric SMILES

CCOC(=O)CC1CC2=C(C=CC(=C2)C)N(C1=O)CC3=NC4=CC(=CC(=C4S3)Cl)Cl.C1C(C(=O)N(C2=C1C=CC(=C2)Cl)CC3=NC4=C(S3)C=CC=C4Cl)CC(=O)O

InChI

InChI=1S/C22H20Cl2N2O3S.C19H14Cl2N2O3S/c1-3-29-20(27)8-14-7-13-6-12(2)4-5-18(13)26(22(14)28)11-19-25-17-10-15(23)9-16(24)21(17)30-19;20-12-5-4-10-6-11(7-17(24)25)19(26)23(14(10)8-12)9-16-22-18-13(21)2-1-3-15(18)27-16/h4-6,9-10,14H,3,7-8,11H2,1-2H3;1-5,8,11H,6-7,9H2,(H,24,25)