4-ethyl-6-[2-[(6-methyl-4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-ethyl-6-[2-[(6-methyl-4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl]-1,4-benzoxazin-3-one Openeye Name: 4-ethyl-6-[2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl]-1,4-benzoxazin-3-one CAS Name: 4-ethyl-6-[2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]-1-oxopropyl]-1,4-benzoxazin-3-one IUPAC Name: 4-ethyl-6-[2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl]-1,4-benzoxazin-3-one Traditional Name: 4-ethyl-6-[2-[(4-keto-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]propanoyl]-1,4-benzoxazin-3-one Formula: C26H23N3O4S2 MolecularWeight: 505.60852

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)COC2=C1C=C(C=C2)C(=O)C(C)SC3=NC4=C(C(=C(S4)C)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

CCN1C(=O)COC2=C1C=C(C=C2)C(=O)C(C)SC3=NC4=C(C(=C(S4)C)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C26H23N3O4S2/c1-4-29-18-12-17(10-11-19(18)33-13-20(29)30)23(31)15(3)35-26-27-24(32)22-21(14(2)34-25(22)28-26)16-8-6-5-7-9-16/h5-12,15H,4,13H2,1-3H3,(H,27,28,32)