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

Systemtic Name: (2S)-2-[2-(4-nitrophenyl)ethanethioylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[2-(4-nitrophenyl)ethanethioyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[2-(4-nitrophenyl)-1-sulfanylideneethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[2-(4-nitrophenyl)ethanethioyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[2-(4-nitrophenyl)thioacetyl]amino]-3-phenyl-propionic acid Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=S)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=S)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O4S/c20-17(21)15(10-12-4-2-1-3-5-12)18-16(24)11-13-6-8-14(9-7-13)19(22)23/h1-9,15H,10-11H2,(H,18,24)(H,20,21)/t15-/m0/s1