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

Systemtic Name: ethyl 2-[1-methyl-5-(4-methylphenyl)carbonyl-2-sulfanyl-pyrrol-3-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO3S/c1-4-21-15(19)10-13-9-14(18(3)17(13)22)16(20)12-7-5-11(2)6-8-12/h5-9,22H,4,10H2,1-3H3