O2-tert-butyl O4-methyl 3-ethyl-5-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-methyl 3-ethyl-5-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-methyl 3-ethyl-5-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-ethyl-5-[[(2-methyl-1,3-benzothiazol-6-yl)amino]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-methyl-1,3-benzothiazol-6-yl)amino]methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-ethyl-5-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)CNC2=CC3=C(C=C2)N=C(S3)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)CNC2=CC3=C(C=C2)N=C(S3)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H27N3O4S/c1-7-14-18(20(26)28-6)16(25-19(14)21(27)29-22(3,4)5)11-23-13-8-9-15-17(10-13)30-12(2)24-15/h8-10,23,25H,7,11H2,1-6H3