N-(1,3-benzothiazol-2-yl)-1-(5-chloranyl-2-methoxy-phenyl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(5-chloranyl-2-methoxy-phenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-(5-chloro-2-methoxy-benzoyl)pyrrolidine-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-[(5-chloro-2-methoxyphenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-(5-chloro-2-methoxy-benzoyl)pyrrolidine-2-carboxamide Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)N2CCCC2C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)N2CCCC2C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18ClN3O3S/c1-27-16-9-8-12(21)11-13(16)19(26)24-10-4-6-15(24)18(25)23-20-22-14-5-2-3-7-17(14)28-20/h2-3,5,7-9,11,15H,4,6,10H2,1H3,(H,22,23,25)