3-[[2-(3,4-dimethoxyphenyl)carbonylimino-1,3-thiazol-3-yl]methyl]benzoic acid

Systemtic Name: 3-[[2-(3,4-dimethoxyphenyl)carbonylimino-1,3-thiazol-3-yl]methyl]benzoic acid Openeye Name: 3-[[2-(3,4-dimethoxybenzoyl)iminothiazol-3-yl]methyl]benzoic acid CAS Name: 3-[[2-[(3,4-dimethoxyphenyl)-oxomethyl]imino-3-thiazolyl]methyl]benzoic acid IUPAC Name: 3-[[2-(3,4-dimethoxybenzoyl)imino-1,3-thiazol-3-yl]methyl]benzoic acid Traditional Name: 3-[(2-veratroylimino-4-thiazolin-3-yl)methyl]benzoic acid Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N=C2N(C=CS2)CC3=CC=CC(=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N=C2N(C=CS2)CC3=CC=CC(=C3)C(=O)O)OC

InChI

InChI=1S/C20H18N2O5S/c1-26-16-7-6-14(11-17(16)27-2)18(23)21-20-22(8-9-28-20)12-13-4-3-5-15(10-13)19(24)25/h3-11H,12H2,1-2H3,(H,24,25)