1-[2-[(1-ethoxy-1-oxidanylidene-3-phenylsulfanyl-propan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(1-ethoxy-1-oxidanylidene-3-phenylsulfanyl-propan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[2-ethoxy-2-oxo-1-(phenylsulfanylmethyl)ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[1-ethoxy-1-oxo-3-(phenylthio)propan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(1-ethoxy-1-oxo-3-phenylsulfanylpropan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[2-ethoxy-2-keto-1-[(phenylthio)methyl]ethyl]amino]propanoyl]proline Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CCOC(=O)C(CSC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C19H26N2O5S/c1-3-26-19(25)15(12-27-14-8-5-4-6-9-14)20-13(2)17(22)21-11-7-10-16(21)18(23)24/h4-6,8-9,13,15-16,20H,3,7,10-12H2,1-2H3,(H,23,24)