5,5-dimethyl-7-oxidanylidene-2-[(E)-(phenylmethylidene)amino]-4,6-dihydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 5,5-dimethyl-7-oxidanylidene-2-[(E)-(phenylmethylidene)amino]-4,6-dihydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(E)-benzylideneamino]-5,5-dimethyl-7-oxo-4,6-dihydrobenzothiophene-3-carbonitrile CAS Name: 5,5-dimethyl-7-oxo-2-[(E)-(phenylmethylene)amino]-4,6-dihydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(E)-benzylideneamino]-5,5-dimethyl-7-oxo-4,6-dihydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(E)-benzalamino]-7-keto-5,5-dimethyl-4,6-dihydrobenzothiophene-3-carbonitrile Formula: C18H16N2OS MolecularWeight: 308.39744

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)SC(=C2C#N)N=CC3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2OS/c1-18(2)8-13-14(10-19)17(22-16(13)15(21)9-18)20-11-12-6-4-3-5-7-12/h3-7,11H,8-9H2,1-2H3/b20-11+