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

Systemtic Name: 6-methyl-2-(methylsulfanylmethyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 6-methyl-2-(methylsulfanylmethyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 6-methyl-2-[(methylthio)methyl]-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 6-methyl-2-(methylsulfanylmethyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 6-methyl-2-[(methylthio)methyl]-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4S/c1-9-7-11(10-5-3-4-6-13(10)17(20)21)14(15(18)19)12(16-9)8-22-2/h3-7,11,16H,8H2,1-2H3,(H,18,19)