ethyl 3-(4-chlorophenyl)-4-cyano-1-methyl-5-propan-2-ylsulfanyl-pyrrole-2-carboxylate

Systemtic Name: ethyl 3-(4-chlorophenyl)-4-cyano-1-methyl-5-propan-2-ylsulfanyl-pyrrole-2-carboxylate Openeye Name: ethyl 3-(4-chlorophenyl)-4-cyano-5-isopropylsulfanyl-1-methyl-pyrrole-2-carboxylate CAS Name: 3-(4-chlorophenyl)-4-cyano-1-methyl-5-(propan-2-ylthio)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorophenyl)-4-cyano-1-methyl-5-propan-2-ylsulfanylpyrrole-2-carboxylate Traditional Name: 3-(4-chlorophenyl)-4-cyano-5-(isopropylthio)-1-methyl-pyrrole-2-carboxylic acid ethyl ester Formula: C18H19ClN2O2S MolecularWeight: 362.87366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C)SC(C)C)C#N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C)SC(C)C)C#N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H19ClN2O2S/c1-5-23-18(22)16-15(12-6-8-13(19)9-7-12)14(10-20)17(21(16)4)24-11(2)3/h6-9,11H,5H2,1-4H3