O5-ethyl O3-prop-2-enyl 2-methyl-6-(methylsulfanylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-prop-2-enyl 2-methyl-6-(methylsulfanylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-allyl O5-ethyl 2-methyl-6-(methylsulfanylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-6-[(methylthio)methyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-prop-2-enyl ester IUPAC Name: 5-O-ethyl 3-O-prop-2-enyl 2-methyl-6-(methylsulfanylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-6-[(methylthio)methyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-allyl ester O5-ethyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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