N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C20H16ClN3O3S MolecularWeight: 413.87734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4)Cl)OC

InChI

InChI=1S/C20H16ClN3O3S/c1-26-16-11-17(27-2)15(10-13(16)21)22-19(25)12-5-6-14-18(9-12)28-20(23-14)24-7-3-4-8-24/h3-11H,1-2H3,(H,22,25)