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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(NC2=O)SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4CC=C)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4CC=C)C5=CC=CC=C5

InChI

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