2-[[5-(4-methoxyphenyl)-3-oxidanylidene-cyclohexen-1-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[[5-(4-methoxyphenyl)-3-oxidanylidene-cyclohexen-1-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[[5-(4-methoxyphenyl)-3-oxo-cyclohexen-1-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[[5-(4-methoxyphenyl)-3-oxo-1-cyclohexenyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[[5-(4-methoxyphenyl)-3-oxocyclohexen-1-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[[3-keto-5-(4-methoxyphenyl)cyclohexen-1-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=CC(=O)C2)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=CC(=O)C2)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C22H22N2O2S/c1-26-18-8-6-14(7-9-18)15-10-16(12-17(25)11-15)24-22-20(13-23)19-4-2-3-5-21(19)27-22/h6-9,12,15,24H,2-5,10-11H2,1H3