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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)C)C(=O)OC

InChI

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