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

Systemtic Name: propan-2-yl 2,4-dimethyl-5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

InChI

InChI=1S/C23H25N3O3S/c1-14(2)29-23(28)20-15(3)21(25-16(20)4)22(27)26-18-7-9-19(10-8-18)30-13-17-6-5-11-24-12-17/h5-12,14,25H,13H2,1-4H3,(H,26,27)