ethyl 3-methylsulfanyl-5-phenyl-4-pyridin-3-ylcarbonyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3-methylsulfanyl-5-phenyl-4-pyridin-3-ylcarbonyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3-methylsulfanyl-5-phenyl-4-(pyridine-3-carbonyl)-1H-pyrrole-2-carboxylate CAS Name: 3-(methylthio)-4-[oxo(3-pyridinyl)methyl]-5-phenyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methylsulfanyl-5-phenyl-4-(pyridine-3-carbonyl)-1H-pyrrole-2-carboxylate Traditional Name: 3-(methylthio)-4-nicotinoyl-5-phenyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C2=CC=CC=C2)C(=O)C3=CN=CC=C3)SC

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C2=CC=CC=C2)C(=O)C3=CN=CC=C3)SC

InChI

InChI=1S/C20H18N2O3S/c1-3-25-20(24)17-19(26-2)15(18(23)14-10-7-11-21-12-14)16(22-17)13-8-5-4-6-9-13/h4-12,22H,3H2,1-2H3