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

Systemtic Name: ethyl 2-(2-azanylethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-5-(phenylcarbonyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 2-(2-aminoethylsulfanylmethyl)-5-benzoyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2-[(2-aminoethylthio)methyl]-5-benzoyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-aminoethylsulfanylmethyl)-5-benzoyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 2-[(2-aminoethylthio)methyl]-5-benzoyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C25H27N3O5S MolecularWeight: 481.56398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)C)CSCCN

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)C)CSCCN

InChI

InChI=1S/C25H27N3O5S/c1-3-33-25(30)23-20(15-34-13-12-26)27-16(2)21(24(29)17-8-5-4-6-9-17)22(23)18-10-7-11-19(14-18)28(31)32/h4-11,14,22,27H,3,12-13,15,26H2,1-2H3