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

Systemtic Name: dimethyl 2-[2-[2-(4-methylphenyl)carbothioylpyrrol-1-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-[2-(4-methylbenzenecarbothioyl)pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2-[(4-methylphenyl)-sulfanylidenemethyl]-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[2-(4-methylbenzenecarbothioyl)pyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-[2-(4-methylthiobenzoyl)pyrrol-1-yl]ethyl]malonic acid dimethyl ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2=CC=CN2CCC(C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=CC=CN2CCC(C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H21NO4S/c1-13-6-8-14(9-7-13)17(25)16-5-4-11-20(16)12-10-15(18(21)23-2)19(22)24-3/h4-9,11,15H,10,12H2,1-3H3