2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C21H23N3O4S3 MolecularWeight: 477.62002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H23N3O4S3/c1-2-28-16-8-9-18-19(13-16)30-21(23-18)29-14-20(25)22-15-6-5-7-17(12-15)31(26,27)24-10-3-4-11-24/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,22,25)