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

Systemtic Name: (E)-[azanyl(sulfanyl)methylidene]-(4-cyclopropyl-3-ethoxycarbonyl-6-methyl-5-prop-2-enoxycarbonyl-1,4-dihydropyridin-2-yl)-methyl-azanium Openeye Name: (E)-(5-allyloxycarbonyl-4-cyclopropyl-3-ethoxycarbonyl-6-methyl-1,4-dihydropyridin-2-yl)-[amino(sulfanyl)methylene]-methyl-ammonium CAS Name: (E)-[amino(mercapto)methylidene]-[4-cyclopropyl-3-ethoxycarbonyl-6-methyl-5-[oxo(prop-2-enoxy)methyl]-1,4-dihydropyridin-2-yl]-methylammonium IUPAC Name: (E)-[amino(sulfanyl)methylidene]-(4-cyclopropyl-3-ethoxycarbonyl-6-methyl-5-prop-2-enoxycarbonyl-1,4-dihydropyridin-2-yl)-methylazanium Traditional Name: (E)-(5-allyloxycarbonyl-3-carbethoxy-4-cyclopropyl-6-methyl-1,4-dihydropyridin-2-yl)-[amino(mercapto)methylene]-methyl-ammonium Formula: C18H26N3O4S+ MolecularWeight: 380.48174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2CC2)C(=O)OCC=C)C)[N+](=C(N)S)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2CC2)C(=O)OCC=C)C)/[N+](=C(\N)/S)/C

InChI

InChI=1S/C18H25N3O4S/c1-5-9-25-16(22)12-10(3)20-15(21(4)18(19)26)14(17(23)24-6-2)13(12)11-7-8-11/h5,11,13H,1,6-9H2,2-4H3,(H3,19,20,22,23,26)/p+1