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

Systemtic Name: 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-keto-ethyl]thio]benzoic acid Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO5S/c21-18(12-26-17-4-2-1-3-14(17)19(22)23)20-8-7-13-5-6-15-16(11-13)25-10-9-24-15/h1-6,11H,7-10,12H2,(H,20,21)(H,22,23)