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

Systemtic Name: 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[(1S)-1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[(2S)-1-[(5-methyl-3-isoxazolyl)amino]-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]benzoic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H14N2O4S/c1-8-7-12(16-20-8)15-13(17)9(2)21-11-6-4-3-5-10(11)14(18)19/h3-7,9H,1-2H3,(H,18,19)(H,15,16,17)/t9-/m0/s1