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

Systemtic Name: 4-(2-methylphenyl)-1-(4-sulfanylbutanoyl)-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: 4-(o-tolyl)-1-(4-sulfanylbutanoyl)-2,5-dihydropyrrole-2-carboxylic acid CAS Name: 1-(4-mercapto-1-oxobutyl)-4-(2-methylphenyl)-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: 4-(2-methylphenyl)-1-(4-sulfanylbutanoyl)-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: 1-(4-mercaptobutanoyl)-4-(o-tolyl)-3-pyrroline-2-carboxylic acid Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO3S/c1-11-5-2-3-6-13(11)12-9-14(16(19)20)17(10-12)15(18)7-4-8-21/h2-3,5-6,9,14,21H,4,7-8,10H2,1H3,(H,19,20)