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

Systemtic Name: (E)-[azanyl(sulfanyl)methylidene]-(4-cyclobutyl-3-ethoxycarbonyl-6-methyl-5-prop-2-enoxycarbonyl-1,4-dihydropyridin-2-yl)-methyl-azanium Openeye Name: (E)-(5-allyloxycarbonyl-4-cyclobutyl-3-ethoxycarbonyl-6-methyl-1,4-dihydropyridin-2-yl)-[amino(sulfanyl)methylene]-methyl-ammonium CAS Name: (E)-[amino(mercapto)methylidene]-[4-cyclobutyl-3-ethoxycarbonyl-6-methyl-5-[oxo(prop-2-enoxy)methyl]-1,4-dihydropyridin-2-yl]-methylammonium IUPAC Name: (E)-[amino(sulfanyl)methylidene]-(4-cyclobutyl-3-ethoxycarbonyl-6-methyl-5-prop-2-enoxycarbonyl-1,4-dihydropyridin-2-yl)-methylazanium Traditional Name: (E)-(5-allyloxycarbonyl-3-carbethoxy-4-cyclobutyl-6-methyl-1,4-dihydropyridin-2-yl)-[amino(mercapto)methylene]-methyl-ammonium Formula: C19H28N3O4S+ MolecularWeight: 394.50832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2CCC2)C(=O)OCC=C)C)[N+](=C(N)S)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2CCC2)C(=O)OCC=C)C)/[N+](=C(\N)/S)/C

InChI

InChI=1S/C19H27N3O4S/c1-5-10-26-17(23)13-11(3)21-16(22(4)19(20)27)15(18(24)25-6-2)14(13)12-8-7-9-12/h5,12,14H,1,6-10H2,2-4H3,(H3,20,21,23,24,27)/p+1