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

Systemtic Name: (E)-[azanyl(sulfanyl)methylidene]-(4-cyclohexyl-3-ethoxycarbonyl-6-methyl-5-prop-2-enoxycarbonyl-1,4-dihydropyridin-2-yl)-methyl-azanium Openeye Name: (E)-(5-allyloxycarbonyl-4-cyclohexyl-3-ethoxycarbonyl-6-methyl-1,4-dihydropyridin-2-yl)-[amino(sulfanyl)methylene]-methyl-ammonium CAS Name: (E)-[amino(mercapto)methylidene]-[4-cyclohexyl-3-ethoxycarbonyl-6-methyl-5-[oxo(prop-2-enoxy)methyl]-1,4-dihydropyridin-2-yl]-methylammonium IUPAC Name: (E)-[amino(sulfanyl)methylidene]-(4-cyclohexyl-3-ethoxycarbonyl-6-methyl-5-prop-2-enoxycarbonyl-1,4-dihydropyridin-2-yl)-methylazanium Traditional Name: (E)-(5-allyloxycarbonyl-3-carbethoxy-4-cyclohexyl-6-methyl-1,4-dihydropyridin-2-yl)-[amino(mercapto)methylene]-methyl-ammonium Formula: C21H32N3O4S+ MolecularWeight: 422.56148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2CCCCC2)C(=O)OCC=C)C)[N+](=C(N)S)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2CCCCC2)C(=O)OCC=C)C)/[N+](=C(\N)/S)/C

InChI

InChI=1S/C21H31N3O4S/c1-5-12-28-19(25)15-13(3)23-18(24(4)21(22)29)17(20(26)27-6-2)16(15)14-10-8-7-9-11-14/h5,14,16H,1,6-12H2,2-4H3,(H3,22,23,25,26,29)/p+1