diethyl 2-[2-[2-(4-methylphenyl)carbothioylpyrrol-1-yl]ethyl]propanedioate

Systemtic Name: diethyl 2-[2-[2-(4-methylphenyl)carbothioylpyrrol-1-yl]ethyl]propanedioate Openeye Name: diethyl 2-[2-[2-(4-methylbenzenecarbothioyl)pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2-[(4-methylphenyl)-sulfanylidenemethyl]-1-pyrrolyl]ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-[2-(4-methylbenzenecarbothioyl)pyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-[2-(4-methylthiobenzoyl)pyrrol-1-yl]ethyl]malonic acid diethyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCN1C=CC=C1C(=S)C2=CC=C(C=C2)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCN1C=CC=C1C(=S)C2=CC=C(C=C2)C)C(=O)OCC

InChI

InChI=1S/C21H25NO4S/c1-4-25-20(23)17(21(24)26-5-2)12-14-22-13-6-7-18(22)19(27)16-10-8-15(3)9-11-16/h6-11,13,17H,4-5,12,14H2,1-3H3