O4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester O2-ethyl ester IUPAC Name: 4-O-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester O2-ethyl ester Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NC2=C(C=CS2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NC2=C(C=CS2)C#N)C

InChI

InChI=1S/C17H17N3O5S/c1-4-24-17(23)14-9(2)13(10(3)19-14)16(22)25-8-12(21)20-15-11(7-18)5-6-26-15/h5-6,19H,4,8H2,1-3H3,(H,20,21)