methyl 2,6-dimethyl-5-nitro-4-(4-oxidanylidene-2-phenyl-thiochromen-8-yl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 2,6-dimethyl-5-nitro-4-(4-oxidanylidene-2-phenyl-thiochromen-8-yl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 2,6-dimethyl-5-nitro-4-(4-oxo-2-phenyl-thiochromen-8-yl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-nitro-4-(4-oxo-2-phenyl-1-benzothiopyran-8-yl)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2,6-dimethyl-5-nitro-4-(4-oxo-2-phenylthiochromen-8-yl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(4-keto-2-phenyl-thiochromen-8-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C24H20N2O5S MolecularWeight: 448.491

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC3=C2SC(=CC3=O)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC3=C2SC(=CC3=O)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C24H20N2O5S/c1-13-20(24(28)31-3)21(22(26(29)30)14(2)25-13)17-11-7-10-16-18(27)12-19(32-23(16)17)15-8-5-4-6-9-15/h4-12,21,25H,1-3H3