2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]sulfanyl-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-6-methyl-5-phenyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-6-methyl-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]thio]-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C26H22N2O4S2 MolecularWeight: 490.59388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C26H22N2O4S2/c1-3-11-28-25(30)23-22(17-7-5-4-6-8-17)16(2)34-24(23)27-26(28)33-15-19(29)18-9-10-20-21(14-18)32-13-12-31-20/h3-10,14H,1,11-13,15H2,2H3