1-(3-ethanoylsulfanylpropanoyl)-4-(1-phenylpropyl)-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: 1-(3-ethanoylsulfanylpropanoyl)-4-(1-phenylpropyl)-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanylpropanoyl)-4-(1-phenylpropyl)-2,5-dihydropyrrole-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-1-oxopropyl]-4-(1-phenylpropyl)-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: 1-(3-acetylsulfanylpropanoyl)-4-(1-phenylpropyl)-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)propanoyl]-4-(1-phenylpropyl)-3-pyrroline-2-carboxylic acid Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(N(C1)C(=O)CCSC(=O)C)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCC(C1=CC(N(C1)C(=O)CCSC(=O)C)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C19H23NO4S/c1-3-16(14-7-5-4-6-8-14)15-11-17(19(23)24)20(12-15)18(22)9-10-25-13(2)21/h4-8,11,16-17H,3,9-10,12H2,1-2H3,(H,23,24)