[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(3,4-dichlorophenyl)-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-(3,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dichlorophenyl)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-(3,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C16H10Cl2N2O3S2 MolecularWeight: 413.2982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)COC(=O)CSC2=NC=NC3=C2C=CS3)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)COC(=O)CSC2=NC=NC3=C2C=CS3)Cl)Cl

InChI

InChI=1S/C16H10Cl2N2O3S2/c17-11-2-1-9(5-12(11)18)13(21)6-23-14(22)7-25-16-10-3-4-24-15(10)19-8-20-16/h1-5,8H,6-7H2