5-[[6-(3-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[[6-(3-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid Openeye Name: 5-[[6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid CAS Name: 5-[[[6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[[6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid Traditional Name: 5-[[[4-keto-6-(3-methoxyphenyl)-1H-pyrimidin-2-yl]thio]methyl]-2-thenoic acid Formula: C17H14N2O4S2 MolecularWeight: 374.43406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=O)N=C(N2)SCC3=CC=C(S3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=O)N=C(N2)SCC3=CC=C(S3)C(=O)O

InChI

InChI=1S/C17H14N2O4S2/c1-23-11-4-2-3-10(7-11)13-8-15(20)19-17(18-13)24-9-12-5-6-14(25-12)16(21)22/h2-8H,9H2,1H3,(H,21,22)(H,18,19,20)