(E)-2-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enenitrile Openeye Name: (E)-3-(4-benzyloxyphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)prop-2-enenitrile CAS Name: (E)-2-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)-3-(4-phenylmethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-3-(4-benzoxyphenyl)-2-(4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)acrylonitrile Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C(=CC4=CC=C(C=C4)OCC5=CC=CC=C5)C#N

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)/C(=C/C4=CC=C(C=C4)OCC5=CC=CC=C5)/C#N

InChI

InChI=1S/C26H21N3O2S/c27-15-19(14-17-10-12-20(13-11-17)31-16-18-6-2-1-3-7-18)24-28-25(30)23-21-8-4-5-9-22(21)32-26(23)29-24/h1-3,6-7,10-14H,4-5,8-9,16H2,(H,28,29,30)/b19-14+