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

Systemtic Name: 2-[[3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[3-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[[3-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[3-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C23H17NO6S MolecularWeight: 435.44918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17NO6S/c25-19(14-8-9-20-21(10-14)30-13-29-20)12-31-16-5-3-4-15(11-16)24-22(26)17-6-1-2-7-18(17)23(27)28/h1-11H,12-13H2,(H,24,26)(H,27,28)