N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-(4-oxidanylidene-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-(4-oxidanylidene-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-[(4-oxo-3-prop-2-enyl-2-thieno[3,2-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-(4-oxo-3-prop-2-enylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-acetamide Formula: C22H23N3O4S2 MolecularWeight: 457.56572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1COC2=CC=CC=C2O1)C(=O)CSC3=NC4=C(C(=O)N3CC=C)SC=C4

Isomeric SMILES

CCN(CC1COC2=CC=CC=C2O1)C(=O)CSC3=NC4=C(C(=O)N3CC=C)SC=C4

InChI

InChI=1S/C22H23N3O4S2/c1-3-10-25-21(27)20-16(9-11-30-20)23-22(25)31-14-19(26)24(4-2)12-15-13-28-17-7-5-6-8-18(17)29-15/h3,5-9,11,15H,1,4,10,12-14H2,2H3