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

Systemtic Name: O2-tert-butyl O4-methyl 5-[[(6-chloranyl-1,3-benzothiazol-2-yl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-methyl 5-[[(6-chloro-1,3-benzothiazol-2-yl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[(6-chloro-1,3-benzothiazol-2-yl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester IUPAC Name: 2-O-tert-butyl 4-O-methyl 5-[[(6-chloro-1,3-benzothiazol-2-yl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[(6-chloro-1,3-benzothiazol-2-yl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)CNC2=NC3=C(S2)C=C(C=C3)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)CNC2=NC3=C(S2)C=C(C=C3)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H24ClN3O4S/c1-6-12-16(18(26)28-5)14(24-17(12)19(27)29-21(2,3)4)10-23-20-25-13-8-7-11(22)9-15(13)30-20/h7-9,24H,6,10H2,1-5H3,(H,23,25)