2-[6-(diphenylamino)-1,3-benzothiazol-2-yl]-4-oxidanylidene-4-sulfanyl-butanoic acid

Systemtic Name: 2-[6-(diphenylamino)-1,3-benzothiazol-2-yl]-4-oxidanylidene-4-sulfanyl-butanoic acid Openeye Name: 4-oxo-2-[6-(N-phenylanilino)-1,3-benzothiazol-2-yl]-4-sulfanyl-butanoic acid CAS Name: 4-mercapto-4-oxo-2-[6-(N-phenylanilino)-1,3-benzothiazol-2-yl]butanoic acid IUPAC Name: 4-oxo-2-[6-(N-phenylanilino)-1,3-benzothiazol-2-yl]-4-sulfanylbutanoic acid Traditional Name: 4-keto-4-mercapto-2-[6-(N-phenylanilino)-1,3-benzothiazol-2-yl]butyric acid Formula: C23H18N2O3S2 MolecularWeight: 434.53062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N=C(S4)C(CC(=O)S)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N=C(S4)C(CC(=O)S)C(=O)O

InChI

InChI=1S/C23H18N2O3S2/c26-21(29)14-18(23(27)28)22-24-19-12-11-17(13-20(19)30-22)25(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,18H,14H2,(H,26,29)(H,27,28)