2-[(2-sulfanylidene-4,5-dihydro-1H-benzo[e][1,3]benzothiazol-7-yl)oxy]butanoic acid

Systemtic Name: 2-[(2-sulfanylidene-4,5-dihydro-1H-benzo[e][1,3]benzothiazol-7-yl)oxy]butanoic acid Openeye Name: 2-[(2-thioxo-4,5-dihydro-1H-benzo[e][1,3]benzothiazol-7-yl)oxy]butanoic acid CAS Name: 2-[(2-sulfanylidene-4,5-dihydro-1H-benzo[e][1,3]benzothiazol-7-yl)oxy]butanoic acid IUPAC Name: 2-[(2-sulfanylidene-4,5-dihydro-1H-benzo[e][1,3]benzothiazol-7-yl)oxy]butanoic acid Traditional Name: 2-[(2-thioxo-4,5-dihydro-1H-benzo[e][1,3]benzothiazol-7-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(C=C1)C3=C(CC2)SC(=S)N3

Isomeric SMILES

CCC(C(=O)O)OC1=CC2=C(C=C1)C3=C(CC2)SC(=S)N3

InChI

InChI=1S/C15H15NO3S2/c1-2-11(14(17)18)19-9-4-5-10-8(7-9)3-6-12-13(10)16-15(20)21-12/h4-5,7,11H,2-3,6H2,1H3,(H,16,20)(H,17,18)