ethyl 4-[2-[(3-cyanophenyl)methylsulfanyl]ethanoyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[2-[(3-cyanophenyl)methylsulfanyl]ethanoyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[(3-cyanophenyl)methylsulfanyl]acetyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-[2-[(3-cyanophenyl)methylthio]-1-oxoethyl]-1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3-cyanophenyl)methylsulfanyl]acetyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 4-[2-[(3-cyanobenzyl)thio]acetyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C)C(=O)OCC)C(=O)CSCC2=CC=CC(=C2)C#N)C

Isomeric SMILES

CCN1C(=C(C(=C1C)C(=O)OCC)C(=O)CSCC2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C21H24N2O3S/c1-5-23-14(3)19(20(15(23)4)21(25)26-6-2)18(24)13-27-12-17-9-7-8-16(10-17)11-22/h7-10H,5-6,12-13H2,1-4H3