methyl 2-[2-(4-methoxyphenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(4-methoxyphenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-methoxybenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-methoxyphenyl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-methoxybenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(2-p-anisoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C18H17N3O6S2 MolecularWeight: 435.47408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC(=O)OC

InChI

InChI=1S/C18H17N3O6S2/c1-26-12-5-3-11(4-6-12)17(23)20-18-21(10-16(22)27-2)14-8-7-13(29(19,24)25)9-15(14)28-18/h3-9H,10H2,1-2H3,(H2,19,24,25)