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

Systemtic Name: (E)-2-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)-3-(2-propan-2-yloxyphenyl)prop-2-enenitrile Openeye Name: (E)-3-(2-isopropoxyphenyl)-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-(2-propan-2-yloxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)-3-(2-propan-2-yloxyphenyl)prop-2-enenitrile Traditional Name: (E)-3-(2-isopropoxyphenyl)-2-(4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)acrylonitrile Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C=C(C#N)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2

Isomeric SMILES

CC(C)OC1=CC=CC=C1/C=C(\C#N)/C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2

InChI

InChI=1S/C22H21N3O2S/c1-13(2)27-17-9-5-3-7-14(17)11-15(12-23)20-24-21(26)19-16-8-4-6-10-18(16)28-22(19)25-20/h3,5,7,9,11,13H,4,6,8,10H2,1-2H3,(H,24,25,26)/b15-11+