4-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-ethylsulfonyl-2-oxidanyl-phenyl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-ethylsulfonyl-2-oxidanyl-phenyl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-ethylsulfonyl-2-hydroxy-phenyl)butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-(5-ethylsulfonyl-2-hydroxyphenyl)butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-(5-esyl-2-hydroxy-phenyl)butyramide Formula: C19H20N2O4S3 MolecularWeight: 436.5681

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H20N2O4S3/c1-2-28(24,25)13-9-10-16(22)15(12-13)20-18(23)8-5-11-26-19-21-14-6-3-4-7-17(14)27-19/h3-4,6-7,9-10,12,22H,2,5,8,11H2,1H3,(H,20,23)