[6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [6-[(4-methylthiazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [6-[[(4-methyl-2-thiazolyl)thio]methyl]-4-oxo-3-pyranyl] ester IUPAC Name: [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-keto-6-[[(4-methylthiazol-2-yl)thio]methyl]pyran-3-yl] ester Formula: C18H13NO6S2 MolecularWeight: 403.42892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H13NO6S2/c1-10-7-26-18(19-10)27-8-12-5-13(20)16(6-22-12)25-17(21)11-2-3-14-15(4-11)24-9-23-14/h2-7H,8-9H2,1H3