2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-3-methyl-benzoic acid

Systemtic Name: 2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-3-methyl-benzoic acid Openeye Name: 2-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]-3-methyl-benzoic acid CAS Name: 2-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]-3-methylbenzoic acid IUPAC Name: 2-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-3-methylbenzoic acid Traditional Name: 2-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]-3-methyl-benzoic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)CCSCC(=O)N)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)CCSCC(=O)N)C(=O)O

InChI

InChI=1S/C13H16N2O4S/c1-8-3-2-4-9(13(18)19)12(8)15-11(17)5-6-20-7-10(14)16/h2-4H,5-7H2,1H3,(H2,14,16)(H,15,17)(H,18,19)