diethyl 2-(3-azido-3-phenyl-propyl)-6-methyl-4-(3-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-(3-azido-3-phenyl-propyl)-6-methyl-4-(3-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-(3-azido-3-phenyl-propyl)-6-methyl-4-(3-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-(3-azido-3-phenylpropyl)-6-methyl-4-[3-(methylthio)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(3-azido-3-phenylpropyl)-6-methyl-4-(3-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-(3-azido-3-phenyl-propyl)-6-methyl-4-[3-(methylthio)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C28H32N4O4S MolecularWeight: 520.64308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N4O4S/c1-5-35-27(33)24-18(3)30-23(16-15-22(31-32-29)19-11-8-7-9-12-19)26(28(34)36-6-2)25(24)20-13-10-14-21(17-20)37-4/h7-14,17,22,25,30H,5-6,15-16H2,1-4H3