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

Systemtic Name: 4-[2-[2-(4-ethylphenyl)imino-3-methyl-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[2-(4-ethylphenyl)imino-3-methyl-4-oxo-thiazolidin-5-yl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[2-(4-ethylphenyl)imino-3-methyl-4-oxo-5-thiazolidinyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[2-(4-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[2-(4-ethylphenyl)imino-4-keto-3-methyl-thiazolidin-5-yl]acetyl]amino]benzoic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N=C2N(C(=O)C(S2)CC(=O)NC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N=C2N(C(=O)C(S2)CC(=O)NC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C21H21N3O4S/c1-3-13-4-8-16(9-5-13)23-21-24(2)19(26)17(29-21)12-18(25)22-15-10-6-14(7-11-15)20(27)28/h4-11,17H,3,12H2,1-2H3,(H,22,25)(H,27,28)