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

Systemtic Name: ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]amino]ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-1-[2-oxo-2-[4-(3-pyridylmethylsulfanyl)anilino]ethyl]pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-oxo-2-[4-(3-pyridinylmethylthio)anilino]ethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-[2-oxo-2-[4-(pyridin-3-ylmethylsulfanyl)anilino]ethyl]pyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-[4-(3-pyridylmethylthio)anilino]ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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