N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(3,4-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(3,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(3,4-dimethoxyphenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NCCC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NCCC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C22H23N3O4S/c1-28-17-8-7-15(12-18(17)29-2)25-13-14(11-21(25)26)22(27)23-10-9-20-24-16-5-3-4-6-19(16)30-20/h3-8,12,14H,9-11,13H2,1-2H3,(H,23,27)