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

Systemtic Name: O3-(2-methylsulfanylethyl) O5-prop-2-enyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-allyl O3-(2-methylsulfanylethyl) (4S)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid O3-[2-(methylthio)ethyl] ester O5-prop-2-enyl ester IUPAC Name: 3-O-(2-methylsulfanylethyl) 5-O-prop-2-enyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid O5-allyl ester O3-[2-(methylthio)ethyl] ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OCCSC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC=C)C

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)OCCSC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC=C)C

InChI

InChI=1S/C21H24N2O6S/c1-5-9-28-20(24)17-13(2)22-14(3)18(21(25)29-10-11-30-4)19(17)15-7-6-8-16(12-15)23(26)27/h5-8,12,18-19H,1,9-11H2,2-4H3/t18?,19-/m0/s1