O2-[(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[(5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl] ester O4-ethyl ester IUPAC Name: 2-O-[(5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl] ester O4-ethyl ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC)C

InChI

InChI=1S/C19H21N3O6S/c1-5-26-17(23)13-9(3)14(22-10(13)4)18(24)28-8-12-11(7-20)16(21)29-15(12)19(25)27-6-2/h22H,5-6,8,21H2,1-4H3