diethyl 2-[(2-azanyl-3-phenyl-propanoyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-[(2-azanyl-3-phenyl-propanoyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[(2-amino-3-phenyl-propanoyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[(2-amino-1-oxo-3-phenylpropyl)thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(2-amino-3-phenylpropanoyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-4-(3-nitrophenyl)-6-[(phenylalanylthio)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C28H31N3O7S MolecularWeight: 553.62664

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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)OCC)CSC(=O)C(CC3=CC=CC=C3)N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSC(=O)C(CC3=CC=CC=C3)N)C

InChI

InChI=1S/C28H31N3O7S/c1-4-37-26(32)23-17(3)30-22(16-39-28(34)21(29)14-18-10-7-6-8-11-18)25(27(33)38-5-2)24(23)19-12-9-13-20(15-19)31(35)36/h6-13,15,21,24,30H,4-5,14,16,29H2,1-3H3