ethyl 2-[5-(4-chlorophenyl)carbonyl-1,4-dimethyl-2-sulfanyl-pyrrol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-(4-chlorophenyl)carbonyl-1,4-dimethyl-2-sulfanyl-pyrrol-3-yl]ethanoate Openeye Name: ethyl 2-[5-(4-chlorobenzoyl)-1,4-dimethyl-2-sulfanyl-pyrrol-3-yl]acetate CAS Name: 2-[5-[(4-chlorophenyl)-oxomethyl]-2-mercapto-1,4-dimethyl-3-pyrrolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(4-chlorobenzoyl)-1,4-dimethyl-2-sulfanylpyrrol-3-yl]acetate Traditional Name: 2-[5-(4-chlorobenzoyl)-2-mercapto-1,4-dimethyl-pyrrol-3-yl]acetic acid ethyl ester Formula: C17H18ClNO3S MolecularWeight: 351.84772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(N(C(=C1C)C(=O)C2=CC=C(C=C2)Cl)C)S

Isomeric SMILES

CCOC(=O)CC1=C(N(C(=C1C)C(=O)C2=CC=C(C=C2)Cl)C)S

InChI

InChI=1S/C17H18ClNO3S/c1-4-22-14(20)9-13-10(2)15(19(3)17(13)23)16(21)11-5-7-12(18)8-6-11/h5-8,23H,4,9H2,1-3H3