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

Systemtic Name: 3-[[4-methyl-2-(3-methylphenyl)carbonylimino-1,3-thiazol-3-yl]methyl]benzoic acid Openeye Name: 3-[[4-methyl-2-(3-methylbenzoyl)imino-thiazol-3-yl]methyl]benzoic acid CAS Name: 3-[[4-methyl-2-[(3-methylphenyl)-oxomethyl]imino-3-thiazolyl]methyl]benzoic acid IUPAC Name: 3-[[4-methyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]benzoic acid Traditional Name: 3-[(4-methyl-2-m-toluoylimino-4-thiazolin-3-yl)methyl]benzoic acid Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N=C2N(C(=CS2)C)CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N=C2N(C(=CS2)C)CC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C20H18N2O3S/c1-13-5-3-7-16(9-13)18(23)21-20-22(14(2)12-26-20)11-15-6-4-8-17(10-15)19(24)25/h3-10,12H,11H2,1-2H3,(H,24,25)