3-[2-(cyanomethylsulfanyl)ethanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-(cyanomethylsulfanyl)ethanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-(cyanomethylsulfanyl)acetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-(cyanomethylthio)-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-(cyanomethylsulfanyl)acetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-(cyanomethylthio)acetyl]amino]-4-methyl-benzoic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSCC#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSCC#N

InChI

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