2-[[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C23H18N2O6S MolecularWeight: 450.46382

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C23H18N2O6S/c26-21(24-15-7-10-19-20(11-15)31-13-30-19)12-32-16-8-5-14(6-9-16)25-22(27)17-3-1-2-4-18(17)23(28)29/h1-11H,12-13H2,(H,24,26)(H,25,27)(H,28,29)