butyl 2-[1-methyl-5-(4-methylphenyl)carbonyl-2-sulfanyl-pyrrol-3-yl]ethanoate

Systemtic Name: butyl 2-[1-methyl-5-(4-methylphenyl)carbonyl-2-sulfanyl-pyrrol-3-yl]ethanoate Openeye Name: butyl 2-[1-methyl-5-(4-methylbenzoyl)-2-sulfanyl-pyrrol-3-yl]acetate CAS Name: 2-[2-mercapto-1-methyl-5-[(4-methylphenyl)-oxomethyl]-3-pyrrolyl]acetic acid butyl ester IUPAC Name: butyl 2-[1-methyl-5-(4-methylbenzoyl)-2-sulfanylpyrrol-3-yl]acetate Traditional Name: 2-(2-mercapto-1-methyl-5-p-toluoyl-pyrrol-3-yl)acetic acid butyl ester Formula: C19H23NO3S MolecularWeight: 345.45582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1=C(N(C(=C1)C(=O)C2=CC=C(C=C2)C)C)S

Isomeric SMILES

CCCCOC(=O)CC1=C(N(C(=C1)C(=O)C2=CC=C(C=C2)C)C)S

InChI

InChI=1S/C19H23NO3S/c1-4-5-10-23-17(21)12-15-11-16(20(3)19(15)24)18(22)14-8-6-13(2)7-9-14/h6-9,11,24H,4-5,10,12H2,1-3H3