2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-(4-chlorophenyl)-2-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-(4-chlorophenyl)-2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-(4-chlorophenyl)-2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-(4-chlorophenyl)-2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C24H19ClN2O4S2 MolecularWeight: 499.00166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)Cl)SCC(=O)C5=CC(=C(C=C5)O)O

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)Cl)SCC(=O)C5=CC(=C(C=C5)O)O

InChI

InChI=1S/C24H19ClN2O4S2/c25-14-6-8-15(9-7-14)27-23(31)21-16-3-1-2-4-20(16)33-22(21)26-24(27)32-12-19(30)13-5-10-17(28)18(29)11-13/h5-11,28-29H,1-4,12H2