diethyl 2-(2-azanyl-3-phenyl-propanoyl)sulfanyl-1,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-(2-azanyl-3-phenyl-propanoyl)sulfanyl-1,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 2-(2-amino-3-phenyl-propanoyl)sulfanyl-1,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)thio]-1,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(2-amino-3-phenylpropanoyl)sulfanyl-1,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1,2-dimethyl-4-(3-nitrophenyl)-6-(phenylalanylthio)-4H-pyridine-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(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)SC(=O)C(CC3=CC=CC=C3)N)C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O7S/c1-5-37-26(32)22-17(3)30(4)25(39-28(34)21(29)15-18-11-8-7-9-12-18)24(27(33)38-6-2)23(22)19-13-10-14-20(16-19)31(35)36/h7-14,16,21,23H,5-6,15,29H2,1-4H3