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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(3-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(3-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-5-keto-1-(3-methoxyphenyl)pyrrolidine-3-carboxamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H19N3O3S/c1-26-15-6-4-5-14(10-15)23-12-13(9-19(23)24)20(25)21-11-18-22-16-7-2-3-8-17(16)27-18/h2-8,10,13H,9,11-12H2,1H3,(H,21,25)