5-ethoxycarbonyl-2-methyl-6-(methylsulfanylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

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

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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)O)C)CSC

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6S/c1-4-26-18(23)16-13(9-27-3)19-10(2)14(17(21)22)15(16)11-6-5-7-12(8-11)20(24)25/h5-8,15,19H,4,9H2,1-3H3,(H,21,22)