2-[(phenylmethyl)amino]-3-(2-sulfanylidene-1H-pyridin-3-yl)propanoic acid

Systemtic Name: 2-[(phenylmethyl)amino]-3-(2-sulfanylidene-1H-pyridin-3-yl)propanoic acid Openeye Name: 2-(benzylamino)-3-(2-thioxo-1H-pyridin-3-yl)propanoic acid CAS Name: 2-[(phenylmethyl)amino]-3-(2-sulfanylidene-1H-pyridin-3-yl)propanoic acid IUPAC Name: 2-(benzylamino)-3-(2-sulfanylidene-1H-pyridin-3-yl)propanoic acid Traditional Name: 2-(benzylamino)-3-(2-thioxo-1H-pyridin-3-yl)propionic acid Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(CC2=CC=CNC2=S)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(CC2=CC=CNC2=S)C(=O)O

InChI

InChI=1S/C15H16N2O2S/c18-15(19)13(9-12-7-4-8-16-14(12)20)17-10-11-5-2-1-3-6-11/h1-8,13,17H,9-10H2,(H,16,20)(H,18,19)