2-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C21H18N2O4S2 MolecularWeight: 426.50862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=C(C=CS4)C(=O)N3CC=C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=C(C=CS4)C(=O)N3CC=C)O

InChI

InChI=1S/C21H18N2O4S2/c1-3-6-23-20(26)14-5-7-28-19(14)22-21(23)29-11-13-9-18(25)27-17-10-16(24)12(4-2)8-15(13)17/h3,5,7-10,24H,1,4,6,11H2,2H3