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

Systemtic Name: 2-[(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(6-chloro-7-ethyl-2-oxo-chromen-4-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(6-chloro-7-ethyl-2-keto-chromen-4-yl)methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C21H17ClN2O3S2 MolecularWeight: 444.95428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=C(C=CS4)C(=O)N3CC=C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=C(C=CS4)C(=O)N3CC=C)Cl

InChI

InChI=1S/C21H17ClN2O3S2/c1-3-6-24-20(26)14-5-7-28-19(14)23-21(24)29-11-13-9-18(25)27-17-8-12(4-2)16(22)10-15(13)17/h3,5,7-10H,1,4,6,11H2,2H3