4-[(6-methyl-2-methylsulfanyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid

Systemtic Name: 4-[(6-methyl-2-methylsulfanyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid Openeye Name: 4-[(6-methyl-2-methylsulfanyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid CAS Name: 4-[[6-methyl-2-(methylthio)-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid IUPAC Name: 4-[(6-methyl-2-methylsulfanyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid Traditional Name: 4-[[4-keto-6-methyl-2-(methylthio)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Formula: C16H14N2O3S2 MolecularWeight: 346.42396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)N=C(N(C2=O)CC3=CC=C(C=C3)C(=O)O)SC

Isomeric SMILES

CC1=CC2=C(S1)N=C(N(C2=O)CC3=CC=C(C=C3)C(=O)O)SC

InChI

InChI=1S/C16H14N2O3S2/c1-9-7-12-13(23-9)17-16(22-2)18(14(12)19)8-10-3-5-11(6-4-10)15(20)21/h3-7H,8H2,1-2H3,(H,20,21)