2-[4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonyl-2-chloranyl-6-methoxy-phenoxy]ethanamide

Systemtic Name: 2-[4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonyl-2-chloranyl-6-methoxy-phenoxy]ethanamide Openeye Name: 2-[4-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-2-chloro-6-methoxy-phenoxy]acetamide CAS Name: 2-[4-[[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]-2-chloro-6-methoxyphenoxy]acetamide IUPAC Name: 2-[4-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-2-chloro-6-methoxyphenoxy]acetamide Traditional Name: 2-[4-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-2-chloro-6-methoxy-phenoxy]acetamide Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)N2CCCC2C3=NC4=CC=CC=C4S3)Cl)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)N2CCCC2C3=NC4=CC=CC=C4S3)Cl)OCC(=O)N

InChI

InChI=1S/C21H20ClN3O4S/c1-28-16-10-12(9-13(22)19(16)29-11-18(23)26)21(27)25-8-4-6-15(25)20-24-14-5-2-3-7-17(14)30-20/h2-3,5,7,9-10,15H,4,6,8,11H2,1H3,(H2,23,26)