2,6-dimethyl-5-(2-methylsulfanylethoxycarbonyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-5-(2-methylsulfanylethoxycarbonyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2,6-dimethyl-5-(2-methylsulfanylethoxycarbonyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-5-[2-(methylthio)ethoxy-oxomethyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-5-(2-methylsulfanylethoxycarbonyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2,6-dimethyl-5-[2-(methylthio)ethoxycarbonyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCSC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCSC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H20N2O6S/c1-10-14(17(21)22)16(12-5-4-6-13(9-12)20(24)25)15(11(2)19-10)18(23)26-7-8-27-3/h4-6,9,16,19H,7-8H2,1-3H3,(H,21,22)