4-[[2-(2-oxidanylidenepropylsulfanyl)-1,3-benzothiazol-4-yl]oxy]benzoic acid

Systemtic Name: 4-[[2-(2-oxidanylidenepropylsulfanyl)-1,3-benzothiazol-4-yl]oxy]benzoic acid Openeye Name: 4-[(2-acetonylsulfanyl-1,3-benzothiazol-4-yl)oxy]benzoic acid CAS Name: 4-[[2-(2-oxopropylthio)-1,3-benzothiazol-4-yl]oxy]benzoic acid IUPAC Name: 4-[[2-(2-oxopropylsulfanyl)-1,3-benzothiazol-4-yl]oxy]benzoic acid Traditional Name: 4-[[2-(acetonylthio)-1,3-benzothiazol-4-yl]oxy]benzoic acid Formula: C17H13NO4S2 MolecularWeight: 359.41942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(C=CC=C2S1)OC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(=O)CSC1=NC2=C(C=CC=C2S1)OC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H13NO4S2/c1-10(19)9-23-17-18-15-13(3-2-4-14(15)24-17)22-12-7-5-11(6-8-12)16(20)21/h2-8H,9H2,1H3,(H,20,21)