5-methyl-2-[2-[(4-oxidanylidene-1,3-thiazol-2-yl)-(propan-2-ylideneamino)amino]ethanoylamino]benzoic acid

Systemtic Name: 5-methyl-2-[2-[(4-oxidanylidene-1,3-thiazol-2-yl)-(propan-2-ylideneamino)amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[(isopropylideneamino)-(4-oxothiazol-2-yl)amino]acetyl]amino]-5-methyl-benzoic acid CAS Name: 5-methyl-2-[[1-oxo-2-[(4-oxo-2-thiazolyl)-(propan-2-ylideneamino)amino]ethyl]amino]benzoic acid IUPAC Name: 5-methyl-2-[[2-[(4-oxo-1,3-thiazol-2-yl)-(propan-2-ylideneamino)amino]acetyl]amino]benzoic acid Traditional Name: 2-[[2-[(isopropylideneamino)-(4-keto-2-thiazolin-2-yl)amino]acetyl]amino]-5-methyl-benzoic acid Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN(C2=NC(=O)CS2)N=C(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN(C2=NC(=O)CS2)N=C(C)C)C(=O)O

InChI

InChI=1S/C16H18N4O4S/c1-9(2)19-20(16-18-14(22)8-25-16)7-13(21)17-12-5-4-10(3)6-11(12)15(23)24/h4-6H,7-8H2,1-3H3,(H,17,21)(H,23,24)