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

Systemtic Name: 6-[2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl]-4-prop-2-enyl-1,4-benzoxazin-3-one Openeye Name: 4-allyl-6-[2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl]-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]propyl]-4-prop-2-enyl-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl]-4-prop-2-enyl-1,4-benzoxazin-3-one Traditional Name: 4-allyl-6-[2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]propanoyl]-1,4-benzoxazin-3-one Formula: C26H21N3O4S2 MolecularWeight: 503.59264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2CC=C)SC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2CC=C)SC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C26H21N3O4S2/c1-3-11-29-19-12-17(9-10-20(19)33-13-21(29)30)23(31)15(2)35-26-27-24(32)22-18(14-34-25(22)28-26)16-7-5-4-6-8-16/h3-10,12,14-15H,1,11,13H2,2H3,(H,27,28,32)