8-(1,3-benzothiazol-2-ylsulfanylmethyl)-4H-1,3-benzodioxine-6-carboxylic acid

Systemtic Name: 8-(1,3-benzothiazol-2-ylsulfanylmethyl)-4H-1,3-benzodioxine-6-carboxylic acid Openeye Name: 8-(1,3-benzothiazol-2-ylsulfanylmethyl)-4H-1,3-benzodioxine-6-carboxylic acid CAS Name: 8-[(1,3-benzothiazol-2-ylthio)methyl]-4H-1,3-benzodioxin-6-carboxylic acid IUPAC Name: 8-(1,3-benzothiazol-2-ylsulfanylmethyl)-4H-1,3-benzodioxine-6-carboxylic acid Traditional Name: 8-[(1,3-benzothiazol-2-ylthio)methyl]-4H-1,3-benzodioxin-6-carboxylic acid Formula: C17H13NO4S2 MolecularWeight: 359.41942

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)C(=O)O)CSC3=NC4=CC=CC=C4S3)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)C(=O)O)CSC3=NC4=CC=CC=C4S3)OCO1

InChI

InChI=1S/C17H13NO4S2/c19-16(20)10-5-11-7-21-9-22-15(11)12(6-10)8-23-17-18-13-3-1-2-4-14(13)24-17/h1-6H,7-9H2,(H,19,20)