O4-[(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl] O3,O5-dimethyl 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate

Systemtic Name: O4-[(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl] O3,O5-dimethyl 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate Openeye Name: O4-[(5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl] O3,O5-dimethyl 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate CAS Name: 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylic acid O4-[(5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl] ester O3,O5-dimethyl ester IUPAC Name: 4-O-[(5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl] 3-O,5-O-dimethyl 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate Traditional Name: 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylic acid O4-[(5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl] ester O3,O5-dimethyl ester Formula: C21H23N3O8S MolecularWeight: 477.48762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OC

InChI

InChI=1S/C21H23N3O8S/c1-6-31-21(28)16-12(11(7-22)17(23)33-16)8-32-20(27)15-13(18(25)29-4)9(2)24-10(3)14(15)19(26)30-5/h15,24H,6,8,23H2,1-5H3