4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-[(3-methylisoxazol-5-yl)amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-[(3-methyl-5-isoxazolyl)amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-keto-2-[(3-methylisoxazol-5-yl)amino]ethyl]thio]benzoic acid Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)NC(=O)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NOC(=C1)NC(=O)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H12N2O4S/c1-8-6-12(19-15-8)14-11(16)7-20-10-4-2-9(3-5-10)13(17)18/h2-6H,7H2,1H3,(H,14,16)(H,17,18)