methyl 2-[4-chloranyl-2-(4-dimethylaminophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[4-chloranyl-2-(4-dimethylaminophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[4-chloro-2-[4-(dimethylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-chloro-2-[(4-dimethylaminophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-chloro-2-[4-(dimethylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-chloro-2-[4-(dimethylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC=C3Cl)CC(=O)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC=C3Cl)CC(=O)OC

InChI

InChI=1S/C19H18ClN3O3S/c1-22(2)13-9-7-12(8-10-13)18(25)21-19-23(11-16(24)26-3)17-14(20)5-4-6-15(17)27-19/h4-10H,11H2,1-3H3