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

Systemtic Name: (E)-[azanyl(sulfanyl)methylidene]-(4-cyclopentyl-3-ethoxycarbonyl-6-methyl-5-prop-2-enoxycarbonyl-1,4-dihydropyridin-2-yl)-methyl-azanium Openeye Name: (E)-(5-allyloxycarbonyl-4-cyclopentyl-3-ethoxycarbonyl-6-methyl-1,4-dihydropyridin-2-yl)-[amino(sulfanyl)methylene]-methyl-ammonium CAS Name: (E)-[amino(mercapto)methylidene]-[4-cyclopentyl-3-ethoxycarbonyl-6-methyl-5-[oxo(prop-2-enoxy)methyl]-1,4-dihydropyridin-2-yl]-methylammonium IUPAC Name: (E)-[amino(sulfanyl)methylidene]-(4-cyclopentyl-3-ethoxycarbonyl-6-methyl-5-prop-2-enoxycarbonyl-1,4-dihydropyridin-2-yl)-methylazanium Traditional Name: (E)-(5-allyloxycarbonyl-3-carbethoxy-4-cyclopentyl-6-methyl-1,4-dihydropyridin-2-yl)-[amino(mercapto)methylene]-methyl-ammonium Formula: C20H30N3O4S+ MolecularWeight: 408.5349

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2CCCC2)C(=O)OCC=C)C)[N+](=C(N)S)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2CCCC2)C(=O)OCC=C)C)/[N+](=C(\N)/S)/C

InChI

InChI=1S/C20H29N3O4S/c1-5-11-27-18(24)14-12(3)22-17(23(4)20(21)28)16(19(25)26-6-2)15(14)13-9-7-8-10-13/h5,13,15H,1,6-11H2,2-4H3,(H3,21,22,24,25,28)/p+1