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

Systemtic Name: ethyl 5-[2-[(2-cyanophenyl)methylsulfanyl]ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[(2-cyanophenyl)methylsulfanyl]ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[2-[(2-cyanophenyl)methylthio]ethylamino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[(2-cyanophenyl)methylsulfanyl]ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(2-cyanobenzyl)thio]ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NCCSCC2=CC=CC=C2C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NCCSCC2=CC=CC=C2C#N)C

InChI

InChI=1S/C20H23N3O3S/c1-4-26-20(25)17-13(2)18(23-14(17)3)19(24)22-9-10-27-12-16-8-6-5-7-15(16)11-21/h5-8,23H,4,9-10,12H2,1-3H3,(H,22,24)