[2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(3-chloro-4-methoxy-phenyl)-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-(3-chloro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C17H13ClN2O4S2 MolecularWeight: 408.87912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CSC2=NC=NC3=C2C=CS3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CSC2=NC=NC3=C2C=CS3)Cl

InChI

InChI=1S/C17H13ClN2O4S2/c1-23-14-3-2-10(6-12(14)18)13(21)7-24-15(22)8-26-17-11-4-5-25-16(11)19-9-20-17/h2-6,9H,7-8H2,1H3