4-(6,6-dimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-3-methoxy-benzoic acid

Systemtic Name: 4-(6,6-dimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-3-methoxy-benzoic acid Openeye Name: 4-(6,6-dimethyl-2-thioxo-1H-pyrimidin-3-yl)-3-methoxy-benzoic acid CAS Name: 4-(6,6-dimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-3-methoxybenzoic acid IUPAC Name: 4-(6,6-dimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-3-methoxybenzoic acid Traditional Name: 4-(6,6-dimethyl-2-thioxo-1H-pyrimidin-3-yl)-3-methoxy-benzoic acid Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CN(C(=S)N1)C2=C(C=C(C=C2)C(=O)O)OC)C

Isomeric SMILES

CC1(C=CN(C(=S)N1)C2=C(C=C(C=C2)C(=O)O)OC)C

InChI

InChI=1S/C14H16N2O3S/c1-14(2)6-7-16(13(20)15-14)10-5-4-9(12(17)18)8-11(10)19-3/h4-8H,1-3H3,(H,15,20)(H,17,18)