4-(3-cyanophenyl)-5-ethylsulfinyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 4-(3-cyanophenyl)-5-ethylsulfinyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(3-cyanophenyl)-5-ethylsulfinyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(3-cyanophenyl)-5-ethylsulfinyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(3-cyanophenyl)-5-ethylsulfinyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-(3-cyanophenyl)-5-ethylsulfinyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=C(NC(=C(C1C2=CC=CC(=C2)C#N)C(=O)O)C)C

Isomeric SMILES

CCS(=O)C1=C(NC(=C(C1C2=CC=CC(=C2)C#N)C(=O)O)C)C

InChI

InChI=1S/C17H18N2O3S/c1-4-23(22)16-11(3)19-10(2)14(17(20)21)15(16)13-7-5-6-12(8-13)9-18/h5-8,15,19H,4H2,1-3H3,(H,20,21)