O4-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-pyran-3-yl] O1-ethyl butanedioate

Systemtic Name: O4-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-pyran-3-yl] O1-ethyl butanedioate Openeye Name: O4-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-pyran-3-yl] O1-ethyl butanedioate CAS Name: butanedioic acid O4-[6-[(1,3-benzothiazol-2-ylthio)methyl]-4-oxo-3-pyranyl] ester O1-ethyl ester IUPAC Name: 4-O-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxopyran-3-yl] 1-O-ethyl butanedioate Traditional Name: succinic acid O4-[6-[(1,3-benzothiazol-2-ylthio)methyl]-4-keto-pyran-3-yl] ester O1-ethyl ester Formula: C19H17NO6S2 MolecularWeight: 419.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)OC1=COC(=CC1=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)CCC(=O)OC1=COC(=CC1=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H17NO6S2/c1-2-24-17(22)7-8-18(23)26-15-10-25-12(9-14(15)21)11-27-19-20-13-5-3-4-6-16(13)28-19/h3-6,9-10H,2,7-8,11H2,1H3