(E)-[azanyl(sulfanyl)methylidene]-(5-ethanoyl-3-ethoxycarbonyl-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl)-methyl-azanium

Systemtic Name: (E)-[azanyl(sulfanyl)methylidene]-(5-ethanoyl-3-ethoxycarbonyl-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl)-methyl-azanium Openeye Name: (E)-[5-acetyl-3-ethoxycarbonyl-6-methyl-4-(2-thienyl)-1,4-dihydropyridin-2-yl]-[amino(sulfanyl)methylene]-methyl-ammonium CAS Name: (E)-(5-acetyl-3-ethoxycarbonyl-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl)-[amino(mercapto)methylidene]-methylammonium IUPAC Name: (E)-(5-acetyl-3-ethoxycarbonyl-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl)-[amino(sulfanyl)methylidene]-methylazanium Traditional Name: (E)-[5-acetyl-3-carbethoxy-6-methyl-4-(2-thienyl)-1,4-dihydropyridin-2-yl]-[amino(mercapto)methylene]-methyl-ammonium Formula: C17H22N3O3S2+ MolecularWeight: 380.50488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C(=O)C)C)[N+](=C(N)S)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C(=O)C)C)/[N+](=C(\N)/S)/C

InChI

InChI=1S/C17H21N3O3S2/c1-5-23-16(22)14-13(11-7-6-8-25-11)12(10(3)21)9(2)19-15(14)20(4)17(18)24/h6-8,13H,5H2,1-4H3,(H3,18,19,21,22,24)/p+1