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

Systemtic Name: 6-methyl-2-(methylsulfanylmethyl)-5-methylsulfonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 6-methyl-2-(methylsulfanylmethyl)-5-methylsulfonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 6-methyl-5-methylsulfonyl-2-[(methylthio)methyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 6-methyl-2-(methylsulfanylmethyl)-5-methylsulfonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-mesyl-6-methyl-2-[(methylthio)methyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C16H18N2O6S2 MolecularWeight: 398.45392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O6S2/c1-9-15(26(3,23)24)13(10-5-4-6-11(7-10)18(21)22)14(16(19)20)12(17-9)8-25-2/h4-7,13,17H,8H2,1-3H3,(H,19,20)