4-[3-[(4-oxidanylidene-6-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanyl]propoxy]benzoic acid

Systemtic Name: 4-[3-[(4-oxidanylidene-6-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanyl]propoxy]benzoic acid Openeye Name: 4-[3-[[4-oxo-6-(2-thienyl)-1H-pyrimidin-2-yl]sulfanyl]propoxy]benzoic acid CAS Name: 4-[3-[(4-oxo-6-thiophen-2-yl-1H-pyrimidin-2-yl)thio]propoxy]benzoic acid IUPAC Name: 4-[3-[(4-oxo-6-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanyl]propoxy]benzoic acid Traditional Name: 4-[3-[[4-keto-6-(2-thienyl)-1H-pyrimidin-2-yl]thio]propoxy]benzoic acid Formula: C18H16N2O4S2 MolecularWeight: 388.46064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=O)N=C(N2)SCCCOC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CSC(=C1)C2=CC(=O)N=C(N2)SCCCOC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H16N2O4S2/c21-16-11-14(15-3-1-9-25-15)19-18(20-16)26-10-2-8-24-13-6-4-12(5-7-13)17(22)23/h1,3-7,9,11H,2,8,10H2,(H,22,23)(H,19,20,21)