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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(2,3-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(2,3-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(2,3-dimethylphenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NCCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NCCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H23N3O2S/c1-14-6-5-8-18(15(14)2)25-13-16(12-21(25)26)22(27)23-11-10-20-24-17-7-3-4-9-19(17)28-20/h3-9,16H,10-13H2,1-2H3,(H,23,27)