(2S)-1-[[4-(phenylsulfanylmethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[[4-(phenylsulfanylmethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[[4-(phenylsulfanylmethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[oxo-[4-[(phenylthio)methyl]anilino]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[[4-(phenylsulfanylmethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[[4-[(phenylthio)methyl]phenyl]carbamoyl]proline Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)NC2=CC=C(C=C2)CSC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)NC2=CC=C(C=C2)CSC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H20N2O3S/c22-18(23)17-7-4-12-21(17)19(24)20-15-10-8-14(9-11-15)13-25-16-5-2-1-3-6-16/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,20,24)(H,22,23)/t17-/m0/s1