2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]thio]benzoic acid Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H15NO5S/c19-16(10-24-15-4-2-1-3-12(15)17(20)21)18-11-5-6-13-14(9-11)23-8-7-22-13/h1-6,9H,7-8,10H2,(H,18,19)(H,20,21)