2-[3-(4-methoxyphenyl)-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-(4-methoxyphenyl)-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[3-(4-methoxyphenyl)-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[3-(4-methoxyphenyl)-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]acetic acid IUPAC Name: 2-[3-(4-methoxyphenyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-keto-3-(4-methoxyphenyl)-5,6-dimethyl-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:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)O)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)O)C3=CC=C(C=C3)OC)C

InChI

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