ethyl 8-(4-methoxyphenyl)-2,7-dimethyl-4-oxidanyl-pyrrolo[2,3-e][1,3]benzothiazole-6-carboxylate

Systemtic Name: ethyl 8-(4-methoxyphenyl)-2,7-dimethyl-4-oxidanyl-pyrrolo[2,3-e][1,3]benzothiazole-6-carboxylate Openeye Name: ethyl 4-hydroxy-8-(4-methoxyphenyl)-2,7-dimethyl-pyrrolo[2,3-e][1,3]benzothiazole-6-carboxylate CAS Name: 4-hydroxy-8-(4-methoxyphenyl)-2,7-dimethyl-6-pyrrolo[2,3-e][1,3]benzothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-8-(4-methoxyphenyl)-2,7-dimethylpyrrolo[2,3-e][1,3]benzothiazole-6-carboxylate Traditional Name: 4-hydroxy-8-(4-methoxyphenyl)-2,7-dimethyl-pyrrolo[2,3-e][1,3]benzothiazole-6-carboxylic acid ethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C3C(=C(C=C12)O)SC(=N3)C)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C3C(=C(C=C12)O)SC(=N3)C)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C21H20N2O4S/c1-5-27-21(25)17-11(2)23(13-6-8-14(26-4)9-7-13)19-15(17)10-16(24)20-18(19)22-12(3)28-20/h6-10,24H,5H2,1-4H3