2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)acetamide Formula: C22H25N3O4S3 MolecularWeight: 491.6466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSCC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSCC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H25N3O4S3/c1-2-29-18-10-9-16(13-20(18)32(27,28)25-11-5-6-12-25)23-21(26)14-30-15-22-24-17-7-3-4-8-19(17)31-22/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3,(H,23,26)