N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methoxy-5-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-5-keto-1-(2-methoxy-5-methyl-phenyl)pyrrolidine-3-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3O3S/c1-13-7-8-17(27-2)16(9-13)24-12-14(10-20(24)25)21(26)22-11-19-23-15-5-3-4-6-18(15)28-19/h3-9,14H,10-12H2,1-2H3,(H,22,26)