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

Systemtic Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-5-thiophen-2-yl-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-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-3-prop-2-enyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]thio]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C23H18N2O4S3 MolecularWeight: 482.59502

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC4=C(C=C3)OCCO4)SC=C2C5=CC=CS5

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC4=C(C=C3)OCCO4)SC=C2C5=CC=CS5

InChI

InChI=1S/C23H18N2O4S3/c1-2-7-25-22(27)20-15(19-4-3-10-30-19)12-31-21(20)24-23(25)32-13-16(26)14-5-6-17-18(11-14)29-9-8-28-17/h2-6,10-12H,1,7-9,13H2