6-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C18H15N3O3S2 MolecularWeight: 385.46

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN=C2SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CCC1=CC2=C(S1)N=CN=C2SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C18H15N3O3S2/c1-2-11-6-12-17(19-9-20-18(12)26-11)25-8-14(22)10-3-4-15-13(5-10)21-16(23)7-24-15/h3-6,9H,2,7-8H2,1H3,(H,21,23)