1-[2-methyl-3-(4-methylphenyl)carbonylsulfanyl-propanoyl]-2,3-dihydropyrrole-5-carboxylic acid

Systemtic Name: 1-[2-methyl-3-(4-methylphenyl)carbonylsulfanyl-propanoyl]-2,3-dihydropyrrole-5-carboxylic acid Openeye Name: 1-[2-methyl-3-(4-methylbenzoyl)sulfanyl-propanoyl]-2,3-dihydropyrrole-5-carboxylic acid CAS Name: 1-[2-methyl-3-[[(4-methylphenyl)-oxomethyl]thio]-1-oxopropyl]-2,3-dihydropyrrole-5-carboxylic acid IUPAC Name: 1-[2-methyl-3-(4-methylbenzoyl)sulfanylpropanoyl]-2,3-dihydropyrrole-5-carboxylic acid Traditional Name: 1-[2-methyl-3-(p-toluoylthio)propanoyl]-2-pyrroline-2-carboxylic acid Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SCC(C)C(=O)N2CCC=C2C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SCC(C)C(=O)N2CCC=C2C(=O)O

InChI

InChI=1S/C17H19NO4S/c1-11-5-7-13(8-6-11)17(22)23-10-12(2)15(19)18-9-3-4-14(18)16(20)21/h4-8,12H,3,9-10H2,1-2H3,(H,20,21)