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

Systemtic Name: 4-[2-[2-(3-chloranyl-2-methyl-phenyl)imino-3-methyl-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[2-(3-chloro-2-methyl-phenyl)imino-3-methyl-4-oxo-thiazolidin-5-yl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[2-(3-chloro-2-methylphenyl)imino-3-methyl-4-oxo-5-thiazolidinyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[2-(3-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[2-(3-chloro-2-methyl-phenyl)imino-4-keto-3-methyl-thiazolidin-5-yl]acetyl]amino]benzoic acid Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N=C2N(C(=O)C(S2)CC(=O)NC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N=C2N(C(=O)C(S2)CC(=O)NC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C20H18ClN3O4S/c1-11-14(21)4-3-5-15(11)23-20-24(2)18(26)16(29-20)10-17(25)22-13-8-6-12(7-9-13)19(27)28/h3-9,16H,10H2,1-2H3,(H,22,25)(H,27,28)