dimethyl 2-[2-[2-chloranyl-5-(4-methylphenyl)carbothioyl-pyrrol-1-yl]ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-[2-chloranyl-5-(4-methylphenyl)carbothioyl-pyrrol-1-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-[2-chloro-5-(4-methylbenzenecarbothioyl)pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2-chloro-5-[(4-methylphenyl)-sulfanylidenemethyl]-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[2-chloro-5-(4-methylbenzenecarbothioyl)pyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-[2-chloro-5-(4-methylthiobenzoyl)pyrrol-1-yl]ethyl]malonic acid dimethyl ester Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2=CC=C(N2CCC(C(=O)OC)C(=O)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=CC=C(N2CCC(C(=O)OC)C(=O)OC)Cl

InChI

InChI=1S/C19H20ClNO4S/c1-12-4-6-13(7-5-12)17(26)15-8-9-16(20)21(15)11-10-14(18(22)24-2)19(23)25-3/h4-9,14H,10-11H2,1-3H3