5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]methyl]-2-methoxy-benzoic acid Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=CC3=C(C=C2)OCCO3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=CC3=C(C=C2)OCCO3)C(=O)O

InChI

InChI=1S/C19H19NO6S/c1-24-15-4-2-12(8-14(15)19(22)23)10-20-18(21)11-27-13-3-5-16-17(9-13)26-7-6-25-16/h2-5,8-9H,6-7,10-11H2,1H3,(H,20,21)(H,22,23)