methyl 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-5,7-dimethyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-5,7-dimethyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H17ClN2O4S2 MolecularWeight: 424.92158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NS(=O)(=O)C3=CC=C(C=C3)Cl)S2)CC(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(/C(=N/S(=O)(=O)C3=CC=C(C=C3)Cl)/S2)CC(=O)OC)C

InChI

InChI=1S/C18H17ClN2O4S2/c1-11-8-12(2)17-15(9-11)21(10-16(22)25-3)18(26-17)20-27(23,24)14-6-4-13(19)5-7-14/h4-9H,10H2,1-3H3/b20-18-