O3-(2-ethylsulfanylethyl) O5-prop-2-enyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-(2-ethylsulfanylethyl) O5-prop-2-enyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-allyl O3-(2-ethylsulfanylethyl) (4R)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4R)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid O3-[2-(ethylthio)ethyl] ester O5-prop-2-enyl ester IUPAC Name: 3-O-(2-ethylsulfanylethyl) 5-O-prop-2-enyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4R)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid O5-allyl ester O3-[2-(ethylthio)ethyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1C(C(=C(N=C1C)C)C(=O)OCC=C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCSCCOC(=O)C1[C@@H](C(=C(N=C1C)C)C(=O)OCC=C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O6S/c1-5-10-29-21(25)18-14(3)23-15(4)19(22(26)30-11-12-31-6-2)20(18)16-8-7-9-17(13-16)24(27)28/h5,7-9,13,19-20H,1,6,10-12H2,2-4H3/t19?,20-/m1/s1