N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(5-methylfuran-2-yl)-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(5-methylfuran-2-yl)-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(5-methyl-2-furyl)-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(5-methyl-2-furanyl)-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(5-methylfuran-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-keto-5-(5-methyl-2-furyl)-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C27H21N3O5S2 MolecularWeight: 531.60274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC5=C(C=C4)OCCO5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC5=C(C=C4)OCCO5)C6=CC=CC=C6

InChI

InChI=1S/C27H21N3O5S2/c1-16-7-9-20(35-16)19-14-36-25-24(19)26(32)30(18-5-3-2-4-6-18)27(29-25)37-15-23(31)28-17-8-10-21-22(13-17)34-12-11-33-21/h2-10,13-14H,11-12,15H2,1H3,(H,28,31)