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

Systemtic Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-propan-2-ylsulfanyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-isopropylsulfanyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-(propan-2-ylthio)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-propan-2-ylsulfanyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-(isopropylthio)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S/c1-9(2)24-16-11(4)18-10(3)14(17(20)21)15(16)12-6-5-7-13(8-12)19(22)23/h5-9,15,18H,1-4H3,(H,20,21)