1-(4-ethanoylsulfanylbutanoyl)-4-(2-methylphenyl)-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: 1-(4-ethanoylsulfanylbutanoyl)-4-(2-methylphenyl)-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: 1-(4-acetylsulfanylbutanoyl)-4-(o-tolyl)-2,5-dihydropyrrole-2-carboxylic acid CAS Name: 1-[4-(acetylthio)-1-oxobutyl]-4-(2-methylphenyl)-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: 1-(4-acetylsulfanylbutanoyl)-4-(2-methylphenyl)-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: 1-[4-(acetylthio)butanoyl]-4-(o-tolyl)-3-pyrroline-2-carboxylic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(N(C2)C(=O)CCCSC(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=CC(N(C2)C(=O)CCCSC(=O)C)C(=O)O

InChI

InChI=1S/C18H21NO4S/c1-12-6-3-4-7-15(12)14-10-16(18(22)23)19(11-14)17(21)8-5-9-24-13(2)20/h3-4,6-7,10,16H,5,8-9,11H2,1-2H3,(H,22,23)