2-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-[ethyl(piperonyl)amino]-2-keto-ethyl]thio]benzoic acid Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H19NO5S/c1-2-20(10-13-7-8-15-16(9-13)25-12-24-15)18(21)11-26-17-6-4-3-5-14(17)19(22)23/h3-9H,2,10-12H2,1H3,(H,22,23)