methyl 6-[(4-oxidanylidene-2,3-dihydrothiochromen-8-yl)carbonylamino]-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl 6-[(4-oxidanylidene-2,3-dihydrothiochromen-8-yl)carbonylamino]-1,3-benzodioxole-5-carboxylate Openeye Name: methyl 6-[(4-oxothiochromane-8-carbonyl)amino]-1,3-benzodioxole-5-carboxylate CAS Name: 6-[[oxo-(4-oxo-2,3-dihydro-1-benzothiopyran-8-yl)methyl]amino]-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[(4-oxo-2,3-dihydrothiochromene-8-carbonyl)amino]-1,3-benzodioxole-5-carboxylate Traditional Name: 6-[(4-ketothiochroman-8-carbonyl)amino]-piperonylic acid methyl ester Formula: C19H15NO6S MolecularWeight: 385.3905

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1NC(=O)C3=CC=CC4=C3SCCC4=O)OCO2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1NC(=O)C3=CC=CC4=C3SCCC4=O)OCO2

InChI

InChI=1S/C19H15NO6S/c1-24-19(23)12-7-15-16(26-9-25-15)8-13(12)20-18(22)11-4-2-3-10-14(21)5-6-27-17(10)11/h2-4,7-8H,5-6,9H2,1H3,(H,20,22)