N-(1,3-benzodioxol-5-yl)-2-[2-(4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)ethanoylamino]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[2-(4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)ethanoylamino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)acetyl]amino]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[1-oxo-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)ethyl]amino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetyl]amino]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)acetyl]amino]acetamide Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)CC(=O)NCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)CC(=O)NCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H20N4O5S/c26-17(24-12-5-6-14-15(7-12)30-11-29-14)8-22-18(27)9-25-10-23-20-19(21(25)28)13-3-1-2-4-16(13)31-20/h5-7,10H,1-4,8-9,11H2,(H,22,27)(H,24,26)