2-[2-(cyanomethylsulfanyl)ethanoylamino]-3-methyl-benzoic acid

Systemtic Name: 2-[2-(cyanomethylsulfanyl)ethanoylamino]-3-methyl-benzoic acid Openeye Name: 2-[[2-(cyanomethylsulfanyl)acetyl]amino]-3-methyl-benzoic acid CAS Name: 2-[[2-(cyanomethylthio)-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 2-[[2-(cyanomethylsulfanyl)acetyl]amino]-3-methylbenzoic acid Traditional Name: 2-[[2-(cyanomethylthio)acetyl]amino]-3-methyl-benzoic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)CSCC#N)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)CSCC#N)C(=O)O

InChI

InChI=1S/C12H12N2O3S/c1-8-3-2-4-9(12(16)17)11(8)14-10(15)7-18-6-5-13/h2-4H,6-7H2,1H3,(H,14,15)(H,16,17)