6-[2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(3-allyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(4-oxo-5-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(3-allyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C25H19N3O4S2 MolecularWeight: 489.56606

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4)SC=C2C5=CC=CC=C5

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4)SC=C2C5=CC=CC=C5

InChI

InChI=1S/C25H19N3O4S2/c1-2-10-28-24(31)22-17(15-6-4-3-5-7-15)13-33-23(22)27-25(28)34-14-19(29)16-8-9-20-18(11-16)26-21(30)12-32-20/h2-9,11,13H,1,10,12,14H2,(H,26,30)