ethyl 2,4-dimethyl-5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[[4-(3-pyridylmethylsulfanyl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[4-(3-pyridinylmethylthio)anilino]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[4-(3-pyridylmethylthio)phenyl]carbamoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)C

InChI

InChI=1S/C22H23N3O3S/c1-4-28-22(27)19-14(2)20(24-15(19)3)21(26)25-17-7-9-18(10-8-17)29-13-16-6-5-11-23-12-16/h5-12,24H,4,13H2,1-3H3,(H,25,26)