ethyl 6-(diethoxymethyl)-2-(2-formamidoethylsulfanylmethyl)-5-nitro-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 6-(diethoxymethyl)-2-(2-formamidoethylsulfanylmethyl)-5-nitro-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 6-(diethoxymethyl)-2-(2-formamidoethylsulfanylmethyl)-5-nitro-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 6-(diethoxymethyl)-2-[(2-formamidoethylthio)methyl]-5-nitro-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(diethoxymethyl)-2-(2-formamidoethylsulfanylmethyl)-5-nitro-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-(diethoxymethyl)-2-[(2-formamidoethylthio)methyl]-5-nitro-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C22H30N4O7S MolecularWeight: 494.5612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=C(C(C(=C(N1)CSCCNC=O)C(=O)OCC)C2=CN=CC=C2)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC(C1=C(C(C(=C(N1)CSCCNC=O)C(=O)OCC)C2=CN=CC=C2)[N+](=O)[O-])OCC

InChI

InChI=1S/C22H30N4O7S/c1-4-31-21(28)18-16(13-34-11-10-24-14-27)25-19(22(32-5-2)33-6-3)20(26(29)30)17(18)15-8-7-9-23-12-15/h7-9,12,14,17,22,25H,4-6,10-11,13H2,1-3H3,(H,24,27)