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

Systemtic Name: O2-tert-butyl O4-methyl 5-[(1,3-benzothiazol-2-ylamino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-methyl 5-[(1,3-benzothiazol-2-ylamino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[(1,3-benzothiazol-2-ylamino)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-[(1,3-benzothiazol-2-ylamino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[(1,3-benzothiazol-2-ylamino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)CNC2=NC3=CC=CC=C3S2)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)CNC2=NC3=CC=CC=C3S2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H25N3O4S/c1-6-12-16(18(25)27-5)14(23-17(12)19(26)28-21(2,3)4)11-22-20-24-13-9-7-8-10-15(13)29-20/h7-10,23H,6,11H2,1-5H3,(H,22,24)