2-[2-(cyanomethylsulfanyl)ethanoylamino]-5-methyl-benzoic acid

Systemtic Name: 2-[2-(cyanomethylsulfanyl)ethanoylamino]-5-methyl-benzoic acid Openeye Name: 2-[[2-(cyanomethylsulfanyl)acetyl]amino]-5-methyl-benzoic acid CAS Name: 2-[[2-(cyanomethylthio)-1-oxoethyl]amino]-5-methylbenzoic acid IUPAC Name: 2-[[2-(cyanomethylsulfanyl)acetyl]amino]-5-methylbenzoic acid Traditional Name: 2-[[2-(cyanomethylthio)acetyl]amino]-5-methyl-benzoic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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