2-[1,3-bis(oxidanylidene)-5-phenoxy-isoindol-2-yl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[1,3-bis(oxidanylidene)-5-phenoxy-isoindol-2-yl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-(1,3-dioxo-5-phenoxy-isoindolin-2-yl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-(1,3-dioxo-5-phenoxy-2-isoindolyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-(1,3-dioxo-5-phenoxyisoindol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-(1,3-diketo-5-phenoxy-isoindolin-2-yl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C24H18N2O3S MolecularWeight: 414.47632

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)N3C(=O)C4=C(C3=O)C=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)N3C(=O)C4=C(C3=O)C=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C24H18N2O3S/c1-14-7-9-17-20(13-25)24(30-21(17)11-14)26-22(27)18-10-8-16(12-19(18)23(26)28)29-15-5-3-2-4-6-15/h2-6,8,10,12,14H,7,9,11H2,1H3