2-[(2-sulfanylidene-4,5-dihydro-1H-benzo[e][1,3]benzothiazol-8-yl)oxy]butanoic acid

Systemtic Name: 2-[(2-sulfanylidene-4,5-dihydro-1H-benzo[e][1,3]benzothiazol-8-yl)oxy]butanoic acid Openeye Name: 2-[(2-thioxo-4,5-dihydro-1H-benzo[e][1,3]benzothiazol-8-yl)oxy]butanoic acid CAS Name: 2-[(2-sulfanylidene-4,5-dihydro-1H-benzo[e][1,3]benzothiazol-8-yl)oxy]butanoic acid IUPAC Name: 2-[(2-sulfanylidene-4,5-dihydro-1H-benzo[e][1,3]benzothiazol-8-yl)oxy]butanoic acid Traditional Name: 2-[(2-thioxo-4,5-dihydro-1H-benzo[e][1,3]benzothiazol-8-yl)oxy]butyric acid Formula: C15H15NO3S2 MolecularWeight: 321.4145

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=CC2=C(CCC3=C2NC(=S)S3)C=C1

Isomeric SMILES

CCC(C(=O)O)OC1=CC2=C(CCC3=C2NC(=S)S3)C=C1

InChI

InChI=1S/C15H15NO3S2/c1-2-11(14(17)18)19-9-5-3-8-4-6-12-13(10(8)7-9)16-15(20)21-12/h3,5,7,11H,2,4,6H2,1H3,(H,16,20)(H,17,18)