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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-keto-1-p-phenetyl-pyrrolidine-3-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3O3S/c1-2-28-17-9-7-16(8-10-17)25-14-15(13-21(25)26)22(27)23-12-11-20-24-18-5-3-4-6-19(18)29-20/h3-10,15H,2,11-14H2,1H3,(H,23,27)