N-(1,3-benzothiazol-2-ylmethyl)-1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(3,4-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(3,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(3,4-dimethoxyphenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NCC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NCC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C21H21N3O4S/c1-27-16-8-7-14(10-17(16)28-2)24-12-13(9-20(24)25)21(26)22-11-19-23-15-5-3-4-6-18(15)29-19/h3-8,10,13H,9,11-12H2,1-2H3,(H,22,26)