8-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: 8-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: 8-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylate IUPAC Name: 8-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylate Formula: C18H14NO5S- MolecularWeight: 356.37246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)SCC3=CC(=CC4=C3OCOC4)C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)SCC3=CC(=CC4=C3OCOC4)C(=O)[O-]

InChI

InChI=1S/C18H15NO5S/c1-10-2-3-15-14(4-10)19-18(24-15)25-8-13-6-11(17(20)21)5-12-7-22-9-23-16(12)13/h2-6H,7-9H2,1H3,(H,20,21)/p-1