6,6-dimethyl-4-oxidanylidene-3-phenylmethoxy-5,7-dihydro-2-benzothiophene-1-carbonitrile

Systemtic Name: 6,6-dimethyl-4-oxidanylidene-3-phenylmethoxy-5,7-dihydro-2-benzothiophene-1-carbonitrile Openeye Name: 3-benzyloxy-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile CAS Name: 6,6-dimethyl-4-oxo-3-phenylmethoxy-5,7-dihydro-2-benzothiophene-1-carbonitrile IUPAC Name: 6,6-dimethyl-4-oxo-3-phenylmethoxy-5,7-dihydro-2-benzothiophene-1-carbonitrile Traditional Name: 3-benzoxy-4-keto-6,6-dimethyl-5,7-dihydroisobenzothiophene-1-carbonitrile Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)OCC3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)OCC3=CC=CC=C3)C#N)C

InChI

InChI=1S/C18H17NO2S/c1-18(2)8-13-15(10-19)22-17(16(13)14(20)9-18)21-11-12-6-4-3-5-7-12/h3-7H,8-9,11H2,1-2H3