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

Systemtic Name: O3-(2-methylsulfanylethyl) O5-propan-2-yl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-isopropyl 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-propan-2-yl ester IUPAC Name: 3-O-(2-methylsulfanylethyl) 5-O-propan-2-yl (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-isopropyl ester O3-[2-(methylthio)ethyl] ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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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)OC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S/c1-12(2)29-21(25)18-14(4)22-13(3)17(20(24)28-9-10-30-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,17,19H,9-10H2,1-5H3/t17?,19-/m1/s1