ethyl 4-(4-chlorophenyl)-5-methanoyl-2-methyl-6-pyridin-2-ylsulfanyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-5-methanoyl-2-methyl-6-pyridin-2-ylsulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-5-formyl-2-methyl-6-(2-pyridylsulfanyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(4-chlorophenyl)-5-formyl-2-methyl-6-(2-pyridinylthio)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-5-formyl-2-methyl-6-pyridin-2-ylsulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-5-formyl-2-methyl-6-(2-pyridylthio)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)Cl)C=O)SC3=CC=CC=N3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)Cl)C=O)SC3=CC=CC=N3)C

InChI

InChI=1S/C21H19ClN2O3S/c1-3-27-21(26)18-13(2)24-20(28-17-6-4-5-11-23-17)16(12-25)19(18)14-7-9-15(22)10-8-14/h4-12,19,24H,3H2,1-2H3