2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]-N-(2-sulfanylethyl)ethanamide

Systemtic Name: 2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]-N-(2-sulfanylethyl)ethanamide Openeye Name: 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]-N-(2-sulfanylethyl)acetamide CAS Name: N-(2-mercaptoethyl)-2-[1-methyl-5-[(4-methylphenyl)-oxomethyl]-2-pyrrolyl]acetamide IUPAC Name: 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]-N-(2-sulfanylethyl)acetamide Traditional Name: N-(2-mercaptoethyl)-2-(1-methyl-5-p-toluoyl-pyrrol-2-yl)acetamide Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)NCCS

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)NCCS

InChI

InChI=1S/C17H20N2O2S/c1-12-3-5-13(6-4-12)17(21)15-8-7-14(19(15)2)11-16(20)18-9-10-22/h3-8,22H,9-11H2,1-2H3,(H,18,20)