(2S)-2-[2-(4-acetyloxyphenyl)ethanethioylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[2-(4-acetyloxyphenyl)ethanethioylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[2-(4-acetoxyphenyl)ethanethioyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[2-(4-acetyloxyphenyl)-1-sulfanylideneethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[2-(4-acetyloxyphenyl)ethanethioyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[2-(4-acetoxyphenyl)thioacetyl]amino]-3-phenyl-propionic acid Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)CC(=S)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)CC(=S)N[C@@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H19NO4S/c1-13(21)24-16-9-7-15(8-10-16)12-18(25)20-17(19(22)23)11-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3,(H,20,25)(H,22,23)/t17-/m0/s1