3-[2-(cyanomethylsulfanyl)ethanoylamino]naphthalene-2-carboxylic acid

Systemtic Name: 3-[2-(cyanomethylsulfanyl)ethanoylamino]naphthalene-2-carboxylic acid Openeye Name: 3-[[2-(cyanomethylsulfanyl)acetyl]amino]naphthalene-2-carboxylic acid CAS Name: 3-[[2-(cyanomethylthio)-1-oxoethyl]amino]-2-naphthalenecarboxylic acid IUPAC Name: 3-[[2-(cyanomethylsulfanyl)acetyl]amino]naphthalene-2-carboxylic acid Traditional Name: 3-[[2-(cyanomethylthio)acetyl]amino]-2-naphthoic acid Formula: C15H12N2O3S MolecularWeight: 300.33238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C(=CC2=C1)C(=O)O)NC(=O)CSCC#N

Isomeric SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)O)NC(=O)CSCC#N

InChI

InChI=1S/C15H12N2O3S/c16-5-6-21-9-14(18)17-13-8-11-4-2-1-3-10(11)7-12(13)15(19)20/h1-4,7-8H,6,9H2,(H,17,18)(H,19,20)