N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C21H23N3O4S3 MolecularWeight: 477.62002

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN3C(=O)C4=CC=CS4

Isomeric SMILES

COCCOCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN3C(=O)C4=CC=CS4

InChI

InChI=1S/C21H23N3O4S3/c1-27-9-10-28-13-30-21-23-15-7-6-14(12-18(15)31-21)22-19(25)16-4-2-8-24(16)20(26)17-5-3-11-29-17/h3,5-7,11-12,16H,2,4,8-10,13H2,1H3,(H,22,25)