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

Systemtic Name: O2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] O4-isopropyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester O4-propan-2-yl ester IUPAC Name: 2-O-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester O4-isopropyl ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C18H19N3O5S/c1-9(2)26-17(23)14-10(3)15(20-11(14)4)18(24)25-8-13(22)21-16-12(7-19)5-6-27-16/h5-6,9,20H,8H2,1-4H3,(H,21,22)