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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)O[C@H](C)C(=O)NC2=C(C=CS2)C#N)C

InChI

InChI=1S/C18H19N3O5S/c1-5-25-18(24)14-9(2)13(10(3)20-14)17(23)26-11(4)15(22)21-16-12(8-19)6-7-27-16/h6-7,11,20H,5H2,1-4H3,(H,21,22)/t11-/m1/s1