[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: [2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [2-oxo-2-(3-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [2-keto-2-(3-sulfamoylanilino)ethyl] ester Formula: C19H19N3O5S3 MolecularWeight: 465.56626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C19H19N3O5S3/c20-30(25,26)14-6-3-5-13(11-14)21-17(23)12-27-18(24)9-4-10-28-19-22-15-7-1-2-8-16(15)29-19/h1-3,5-8,11H,4,9-10,12H2,(H,21,23)(H2,20,25,26)