3-(phenylmethylsulfanyl)-2-(pyridin-3-ylcarbonylamino)propanoate

Systemtic Name: 3-(phenylmethylsulfanyl)-2-(pyridin-3-ylcarbonylamino)propanoate Openeye Name: 3-benzylsulfanyl-2-(pyridine-3-carbonylamino)propanoate CAS Name: 2-[[oxo(3-pyridinyl)methyl]amino]-3-(phenylmethylthio)propanoate IUPAC Name: 3-benzylsulfanyl-2-(pyridine-3-carbonylamino)propanoate Traditional Name: 3-(benzylthio)-2-nicotinamido-propionate Formula: C16H15N2O3S- MolecularWeight: 315.3669

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)[O-])NC(=O)C2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CSCC(C(=O)[O-])NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C16H16N2O3S/c19-15(13-7-4-8-17-9-13)18-14(16(20)21)11-22-10-12-5-2-1-3-6-12/h1-9,14H,10-11H2,(H,18,19)(H,20,21)/p-1