[azanyl-[[3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylsulfanyl]methylidene]azanium

Systemtic Name: [azanyl-[[3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylsulfanyl]methylidene]azanium Openeye Name: [amino-[[3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylsulfanyl]methylene]ammonium CAS Name: [amino-[[3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylthio]methylidene]ammonium IUPAC Name: [amino-[[3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylsulfanyl]methylidene]azanium Traditional Name: [amino-[[3-carbethoxy-5-carbomethoxy-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylthio]methylene]ammonium Formula: C19H23N4O6S+ MolecularWeight: 435.47412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CSC(=[NH2+])N

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CSC(=[NH2+])N

InChI

InChI=1S/C19H22N4O6S/c1-4-29-18(25)16-13(9-30-19(20)21)22-10(2)14(17(24)28-3)15(16)11-6-5-7-12(8-11)23(26)27/h5-8,15,22H,4,9H2,1-3H3,(H3,20,21)/p+1