methyl 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-6-ethyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-6-ethyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-6-ethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-6-ethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-6-ethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-6-ethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H17ClN2O4S2 MolecularWeight: 424.92158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NS(=O)(=O)C3=CC=C(C=C3)Cl)S2)CC(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(/C(=N/S(=O)(=O)C3=CC=C(C=C3)Cl)/S2)CC(=O)OC

InChI

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