6-[(2S)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(2S)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(2S)-2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(2S)-1-oxo-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]propyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(2S)-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(2S)-2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C20H17N3O4S2 MolecularWeight: 427.49668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC4=C(C=CS4)C(=O)N3CC=C

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC4=C(C=CS4)C(=O)N3CC=C

InChI

InChI=1S/C20H17N3O4S2/c1-3-7-23-19(26)13-6-8-28-18(13)22-20(23)29-11(2)17(25)12-4-5-15-14(9-12)21-16(24)10-27-15/h3-6,8-9,11H,1,7,10H2,2H3,(H,21,24)/t11-/m0/s1