ethyl 5-ethanoyl-2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-acetyl-2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-acetyl-2-[(2-formamidoethylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-acetyl-2-[(2-formamidoethylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C)C)CSCCNC=O

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C)C)CSCCNC=O

InChI

InChI=1S/C21H25N3O6S/c1-4-30-21(27)20-17(11-31-9-8-22-12-25)23-13(2)18(14(3)26)19(20)15-6-5-7-16(10-15)24(28)29/h5-7,10,12,19,23H,4,8-9,11H2,1-3H3,(H,22,25)