2-[(5-cyanonaphthalen-1-yl)sulfanylcarbonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[(5-cyanonaphthalen-1-yl)sulfanylcarbonyl-methyl-amino]ethanoic acid Openeye Name: 2-[(5-cyano-1-naphthyl)sulfanylcarbonyl-methyl-amino]acetic acid CAS Name: 2-[[[(5-cyano-1-naphthalenyl)thio]-oxomethyl]-methylamino]acetic acid IUPAC Name: 2-[(5-cyanonaphthalen-1-yl)sulfanylcarbonyl-methylamino]acetic acid Traditional Name: 2-[[(5-cyano-1-naphthyl)thio]carbonyl-methyl-amino]acetic acid Formula: C15H12N2O3S MolecularWeight: 300.33238

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=O)SC1=CC=CC2=C(C=CC=C21)C#N

Isomeric SMILES

CN(CC(=O)O)C(=O)SC1=CC=CC2=C(C=CC=C21)C#N

InChI

InChI=1S/C15H12N2O3S/c1-17(9-14(18)19)15(20)21-13-7-3-5-11-10(8-16)4-2-6-12(11)13/h2-7H,9H2,1H3,(H,18,19)