4-[2-[3-methyl-2-(2-methylphenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[3-methyl-2-(2-methylphenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[3-methyl-2-(o-tolylimino)-4-oxo-thiazolidin-5-yl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-5-thiazolidinyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[4-keto-3-methyl-2-(o-tolylimino)thiazolidin-5-yl]acetyl]amino]benzoic acid Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N=C2N(C(=O)C(S2)CC(=O)NC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=CC=CC=C1N=C2N(C(=O)C(S2)CC(=O)NC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C20H19N3O4S/c1-12-5-3-4-6-15(12)22-20-23(2)18(25)16(28-20)11-17(24)21-14-9-7-13(8-10-14)19(26)27/h3-10,16H,11H2,1-2H3,(H,21,24)(H,26,27)