2-(2,5-dimethylpyrrol-1-yl)-N-(4-hydroxyphenyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(4-hydroxyphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(4-hydroxyphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-N-(4-hydroxyphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(4-hydroxyphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(4-hydroxyphenyl)-1,3-benzothiazole-6-carboxamide Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)NC4=CC=C(C=C4)O)C

Isomeric SMILES

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)NC4=CC=C(C=C4)O)C

InChI

InChI=1S/C20H17N3O2S/c1-12-3-4-13(2)23(12)20-22-17-10-5-14(11-18(17)26-20)19(25)21-15-6-8-16(24)9-7-15/h3-11,24H,1-2H3,(H,21,25)