4-methyl-3-[[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxidanylidene-butanoyl]amino]benzoic acid

Systemtic Name: 4-methyl-3-[[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxidanylidene-butanoyl]amino]benzoic acid Openeye Name: 4-methyl-3-[[4-[(4-methylthiazol-2-yl)amino]-4-oxo-butanoyl]amino]benzoic acid CAS Name: 4-methyl-3-[[4-[(4-methyl-2-thiazolyl)amino]-1,4-dioxobutyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobutanoyl]amino]benzoic acid Traditional Name: 3-[[4-keto-4-[(4-methylthiazol-2-yl)amino]butanoyl]amino]-4-methyl-benzoic acid Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CCC(=O)NC2=NC(=CS2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CCC(=O)NC2=NC(=CS2)C

InChI

InChI=1S/C16H17N3O4S/c1-9-3-4-11(15(22)23)7-12(9)18-13(20)5-6-14(21)19-16-17-10(2)8-24-16/h3-4,7-8H,5-6H2,1-2H3,(H,18,20)(H,22,23)(H,17,19,21)