N-(1,3-benzothiazol-2-ylmethyl)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-5-keto-1-p-phenetyl-pyrrolidine-3-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

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