diethyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(3-pyridyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[(2-formamidoethylthio)methyl]-6-methyl-4-(3-pyridinyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(2-formamidoethylthio)methyl]-6-methyl-4-(3-pyridyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CN=CC=C2)C(=O)OCC)CSCCNC=O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CN=CC=C2)C(=O)OCC)CSCCNC=O)C

InChI

InChI=1S/C21H27N3O5S/c1-4-28-20(26)17-14(3)24-16(12-30-10-9-23-13-25)19(21(27)29-5-2)18(17)15-7-6-8-22-11-15/h6-8,11,13,18,24H,4-5,9-10,12H2,1-3H3,(H,23,25)