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

Systemtic Name: 2,6-dimethyl-5-methylsulfanyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2,6-dimethyl-5-methylsulfanyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-5-(methylthio)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-5-methylsulfanyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2,6-dimethyl-5-(methylthio)-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=C(C(C(=C(N1)C)SC)C2=CC=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4S/c1-8-12(15(18)19)13(14(22-3)9(2)16-8)10-6-4-5-7-11(10)17(20)21/h4-7,13,16H,1-3H3,(H,18,19)