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

Systemtic Name: S-(1,3-benzothiazol-2-yl) (4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carbothioate Openeye Name: S-(1,3-benzothiazol-2-yl) (4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carbothioate CAS Name: (4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carbothioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) (4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carbothioate Traditional Name: (4Z)-4-hydroximino-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carbothioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NO)CC(C2)(C)C)C(=O)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(OC2=C1/C(=N\O)/CC(C2)(C)C)C(=O)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18N2O3S2/c1-10-15-12(21-23)8-19(2,3)9-13(15)24-16(10)17(22)26-18-20-11-6-4-5-7-14(11)25-18/h4-7,23H,8-9H2,1-3H3/b21-12-