2-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methylsulfanyl]benzoic acid

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methylsulfanyl]benzoic acid Openeye Name: 2-[(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methylthio]benzoic acid IUPAC Name: 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methylthio]benzoic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H14N2O4S/c1-15-9(7-12(17)16(2)14(15)20)8-21-11-6-4-3-5-10(11)13(18)19/h3-7H,8H2,1-2H3,(H,18,19)