2-[[6-ethyl-5-(3-methoxyphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[6-ethyl-5-(3-methoxyphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[6-ethyl-5-(3-methoxyphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[6-ethyl-5-(3-methoxyphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]acetic acid IUPAC Name: 2-[[6-ethyl-5-(3-methoxyphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[6-ethyl-4-keto-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]thio]acetic acid Formula: C17H16N2O4S2 MolecularWeight: 376.44994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(NC2=O)SCC(=O)O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(NC2=O)SCC(=O)O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C17H16N2O4S2/c1-3-11-13(9-5-4-6-10(7-9)23-2)14-15(22)18-17(19-16(14)25-11)24-8-12(20)21/h4-7H,3,8H2,1-2H3,(H,20,21)(H,18,19,22)