4-[2-[(4-oxidanylidene-6-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzoic acid

Systemtic Name: 4-[2-[(4-oxidanylidene-6-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 4-[2-[[4-oxo-6-(2-thienyl)-1H-pyrimidin-2-yl]sulfanyl]ethoxy]benzoic acid CAS Name: 4-[2-[(4-oxo-6-thiophen-2-yl-1H-pyrimidin-2-yl)thio]ethoxy]benzoic acid IUPAC Name: 4-[2-[(4-oxo-6-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 4-[2-[[4-keto-6-(2-thienyl)-1H-pyrimidin-2-yl]thio]ethoxy]benzoic acid Formula: C17H14N2O4S2 MolecularWeight: 374.43406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=O)N=C(N2)SCCOC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CSC(=C1)C2=CC(=O)N=C(N2)SCCOC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H14N2O4S2/c20-15-10-13(14-2-1-8-24-14)18-17(19-15)25-9-7-23-12-5-3-11(4-6-12)16(21)22/h1-6,8,10H,7,9H2,(H,21,22)(H,18,19,20)