ethyl 2-[1,4-dimethyl-5-(4-methylphenyl)carbothioyl-pyrrol-2-yl]ethanoate

Systemtic Name: ethyl 2-[1,4-dimethyl-5-(4-methylphenyl)carbothioyl-pyrrol-2-yl]ethanoate Openeye Name: ethyl 2-[1,4-dimethyl-5-(4-methylbenzenecarbothioyl)pyrrol-2-yl]acetate CAS Name: 2-[1,4-dimethyl-5-[(4-methylphenyl)-sulfanylidenemethyl]-2-pyrrolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1,4-dimethyl-5-(4-methylbenzenecarbothioyl)pyrrol-2-yl]acetate Traditional Name: 2-[1,4-dimethyl-5-(4-methylthiobenzoyl)pyrrol-2-yl]acetic acid ethyl ester Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(=C(N1C)C(=S)C2=CC=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)CC1=CC(=C(N1C)C(=S)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C18H21NO2S/c1-5-21-16(20)11-15-10-13(3)17(19(15)4)18(22)14-8-6-12(2)7-9-14/h6-10H,5,11H2,1-4H3