ethyl 2-[[5-[2-azanyl-3-cyano-4-(3,4-dichlorophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-[2-azanyl-3-cyano-4-(3,4-dichlorophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-keto-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C22H19Cl2N5O3S2 MolecularWeight: 536.45396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(S1)N2C3=C(C(C(=C2N)C#N)C4=CC(=C(C=C4)Cl)Cl)C(=O)CCC3

Isomeric SMILES

CCOC(=O)CSC1=NN=C(S1)N2C3=C(C(C(=C2N)C#N)C4=CC(=C(C=C4)Cl)Cl)C(=O)CCC3

InChI

InChI=1S/C22H19Cl2N5O3S2/c1-2-32-17(31)10-33-22-28-27-21(34-22)29-15-4-3-5-16(30)19(15)18(12(9-25)20(29)26)11-6-7-13(23)14(24)8-11/h6-8,18H,2-5,10,26H2,1H3