S-(1,3-benzothiazol-2-yl) 3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carbothioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) 3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carbothioate Openeye Name: S-(1,3-benzothiazol-2-yl) 3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carbothioate CAS Name: 3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carbothioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbothioate Traditional Name: 4-keto-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carbothioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C19H17NO3S2 MolecularWeight: 371.47318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H17NO3S2/c1-10-15-12(21)8-19(2,3)9-13(15)23-16(10)17(22)25-18-20-11-6-4-5-7-14(11)24-18/h4-7H,8-9H2,1-3H3