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

Systemtic Name: ethyl 2-(2-azanylethylsulfanylmethyl)-5-ethanoyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-acetyl-2-(2-aminoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-acetyl-2-[(2-aminoethylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-(2-aminoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-acetyl-2-[(2-aminoethylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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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)CSCCN

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S/c1-4-28-20(25)19-16(11-29-9-8-21)22-12(2)17(13(3)24)18(19)14-6-5-7-15(10-14)23(26)27/h5-7,10,18,22H,4,8-9,11,21H2,1-3H3