(E)-3-[[3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylsulfanyl]prop-2-enoate

Systemtic Name: (E)-3-[[3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylsulfanyl]prop-2-enoate Openeye Name: (E)-3-[[3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylsulfanyl]prop-2-enoate CAS Name: (E)-3-[[3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylthio]-2-propenoate IUPAC Name: (E)-3-[[3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylsulfanyl]prop-2-enoate Traditional Name: (E)-3-[[3-carbethoxy-5-carbomethoxy-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylthio]acrylate Formula: C21H21N2O8S- MolecularWeight: 461.46504

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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=CC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O8S/c1-4-31-21(27)19-15(11-32-9-8-16(24)25)22-12(2)17(20(26)30-3)18(19)13-6-5-7-14(10-13)23(28)29/h5-10,18,22H,4,11H2,1-3H3,(H,24,25)/p-1/b9-8+