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

Systemtic Name: 2-[[5-(3-methoxyphenyl)-6-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(3-methoxyphenyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(3-methoxyphenyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]acetic acid IUPAC Name: 2-[[5-(3-methoxyphenyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-keto-5-(3-methoxyphenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-2-yl]thio]acetic acid Formula: C16H14N2O4S2 MolecularWeight: 362.42336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(NC2=O)SCC(=O)O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)SCC(=O)O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C16H14N2O4S2/c1-8-12(9-4-3-5-10(6-9)22-2)13-14(21)17-16(18-15(13)24-8)23-7-11(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,17,18,21)