3-(4-acetamidophenyl)-2-(ethanethioylamino)propanoic acid

Systemtic Name: 3-(4-acetamidophenyl)-2-(ethanethioylamino)propanoic acid Openeye Name: 3-(4-acetamidophenyl)-2-(ethanethioylamino)propanoic acid CAS Name: 3-(4-acetamidophenyl)-2-(1-sulfanylideneethylamino)propanoic acid IUPAC Name: 3-(4-acetamidophenyl)-2-(ethanethioylamino)propanoic acid Traditional Name: 3-(4-acetamidophenyl)-2-(thioacetylamino)propionic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CC(C(=O)O)NC(=S)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CC(C(=O)O)NC(=S)C

InChI

InChI=1S/C13H16N2O3S/c1-8(16)14-11-5-3-10(4-6-11)7-12(13(17)18)15-9(2)19/h3-6,12H,7H2,1-2H3,(H,14,16)(H,15,19)(H,17,18)