methyl 6-(4H-thiochromeno[3,4-d][1,2]oxazol-3-ylcarbonylamino)-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl 6-(4H-thiochromeno[3,4-d][1,2]oxazol-3-ylcarbonylamino)-1,3-benzodioxole-5-carboxylate Openeye Name: methyl 6-(4H-thiochromeno[3,4-d]isoxazole-3-carbonylamino)-1,3-benzodioxole-5-carboxylate CAS Name: 6-[[oxo(4H-thiochromeno[3,4-d]isoxazol-3-yl)methyl]amino]-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(4H-thiochromeno[3,4-d][1,2]oxazole-3-carbonylamino)-1,3-benzodioxole-5-carboxylate Traditional Name: 6-(4H-thiochromen[3,4-d]isoxazole-3-carbonylamino)-piperonylic acid methyl ester Formula: C20H14N2O6S MolecularWeight: 410.39996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1NC(=O)C3=NOC4=C3CSC5=CC=CC=C54)OCO2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1NC(=O)C3=NOC4=C3CSC5=CC=CC=C54)OCO2

InChI

InChI=1S/C20H14N2O6S/c1-25-20(24)11-6-14-15(27-9-26-14)7-13(11)21-19(23)17-12-8-29-16-5-3-2-4-10(16)18(12)28-22-17/h2-7H,8-9H2,1H3,(H,21,23)