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

Systemtic Name: (2S)-2-[2-(2-methylphenyl)ethanethioylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[2-(o-tolyl)ethanethioyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[2-(2-methylphenyl)-1-sulfanylideneethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[2-(2-methylphenyl)ethanethioyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[2-(o-tolyl)thioacetyl]amino]-3-phenyl-propionic acid Formula: C18H19NO2S MolecularWeight: 313.41396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=S)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CC(=S)N[C@@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H19NO2S/c1-13-7-5-6-10-15(13)12-17(22)19-16(18(20)21)11-14-8-3-2-4-9-14/h2-10,16H,11-12H2,1H3,(H,19,22)(H,20,21)/t16-/m0/s1