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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(3-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(3-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-keto-1-(3-methoxyphenyl)pyrrolidine-3-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-27-16-6-4-5-15(12-16)24-13-14(11-20(24)25)21(26)22-10-9-19-23-17-7-2-3-8-18(17)28-19/h2-8,12,14H,9-11,13H2,1H3,(H,22,26)