diethyl 2-[(2-azanyl-2-phenyl-ethyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-[(2-azanyl-2-phenyl-ethyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[(2-amino-2-phenyl-ethyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate CAS Name: 2-[[(2-amino-2-phenylethyl)thio]methyl]-6-methyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(2-amino-2-phenylethyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate Traditional Name: 2-[[(2-amino-2-phenyl-ethyl)thio]methyl]-6-methyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid diethyl ester Formula: C27H29N3O6S MolecularWeight: 523.60066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N=C1C)CSCC(C2=CC=CC=C2)N)C(=O)OCC)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N=C1C)CSCC(C2=CC=CC=C2)N)C(=O)OCC)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H29N3O6S/c1-4-35-26(31)23-17(3)29-22(16-37-15-21(28)18-10-7-6-8-11-18)25(27(32)36-5-2)24(23)19-12-9-13-20(14-19)30(33)34/h6-14,21H,4-5,15-16,28H2,1-3H3