O2-tert-butyl O4-methyl 3-ethyl-5-[[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]methyl]-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-methyl 3-ethyl-5-[[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-methyl 3-ethyl-5-[[[2-(2-thienyl)thiazol-4-yl]methylamino]methyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-ethyl-5-[[(2-thiophen-2-yl-4-thiazolyl)methylamino]methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester IUPAC Name: 2-O-tert-butyl 4-O-methyl 3-ethyl-5-[[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-ethyl-5-[[[2-(2-thienyl)thiazol-4-yl]methylamino]methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)CNCC2=CSC(=N2)C3=CC=CS3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)CNCC2=CSC(=N2)C3=CC=CS3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H27N3O4S2/c1-6-14-17(20(26)28-5)15(25-18(14)21(27)29-22(2,3)4)11-23-10-13-12-31-19(24-13)16-8-7-9-30-16/h7-9,12,23,25H,6,10-11H2,1-5H3