ethyl 2-[(1-methoxy-1-phenyl-ethyl)sulfanylmethyl]-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 2-[(1-methoxy-1-phenyl-ethyl)sulfanylmethyl]-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 2-[(1-methoxy-1-phenyl-ethyl)sulfanylmethyl]-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2-[[(1-methoxy-1-phenylethyl)thio]methyl]-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-methoxy-1-phenylethyl)sulfanylmethyl]-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 2-[[(1-methoxy-1-phenyl-ethyl)thio]methyl]-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C25H27N3O7S MolecularWeight: 513.56278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O7S/c1-5-35-24(29)22-20(15-36-25(3,34-4)18-11-7-6-8-12-18)26-16(2)23(28(32)33)21(22)17-10-9-13-19(14-17)27(30)31/h6-14,21,26H,5,15H2,1-4H3