3-(2-acetamidophenyl)sulfanyl-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-(2-acetamidophenyl)sulfanyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-(2-acetamidophenyl)sulfanyl-3-(3-pyridyl)propanoic acid CAS Name: 3-[(2-acetamidophenyl)thio]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-(2-acetamidophenyl)sulfanyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[(2-acetamidophenyl)thio]-3-(3-pyridyl)propionic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1SC(CC(=O)O)C2=CN=CC=C2

Isomeric SMILES

CC(=O)NC1=CC=CC=C1SC(CC(=O)O)C2=CN=CC=C2

InChI

InChI=1S/C16H16N2O3S/c1-11(19)18-13-6-2-3-7-14(13)22-15(9-16(20)21)12-5-4-8-17-10-12/h2-8,10,15H,9H2,1H3,(H,18,19)(H,20,21)