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

Systemtic Name: S-(1,3-benzothiazol-2-yl) (4Z)-3,6,6-trimethyl-4-(phenylhydrazinylidene)-5,7-dihydro-1-benzofuran-2-carbothioate Openeye Name: S-(1,3-benzothiazol-2-yl) (4Z)-3,6,6-trimethyl-4-(phenylhydrazono)-5,7-dihydrobenzofuran-2-carbothioate CAS Name: (4Z)-3,6,6-trimethyl-4-(phenylhydrazinylidene)-5,7-dihydrobenzofuran-2-carbothioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) (4Z)-3,6,6-trimethyl-4-(phenylhydrazinylidene)-5,7-dihydro-1-benzofuran-2-carbothioate Traditional Name: (4Z)-3,6,6-trimethyl-4-(phenylhydrazono)-5,7-dihydrobenzofuran-2-carbothioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C25H23N3O2S2 MolecularWeight: 461.59902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC3=CC=CC=C3)CC(C2)(C)C)C(=O)SC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(OC2=C1/C(=N\NC3=CC=CC=C3)/CC(C2)(C)C)C(=O)SC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H23N3O2S2/c1-15-21-18(28-27-16-9-5-4-6-10-16)13-25(2,3)14-19(21)30-22(15)23(29)32-24-26-17-11-7-8-12-20(17)31-24/h4-12,27H,13-14H2,1-3H3/b28-18-