3-(pyrimidin-2-ylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-(pyrimidin-2-ylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(pyrimidin-2-ylsulfanylmethyl)benzothiophene-2-carboxylic acid CAS Name: 3-[(2-pyrimidinylthio)methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(pyrimidin-2-ylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[(2-pyrimidylthio)methyl]benzothiophene-2-carboxylic acid Formula: C14H10N2O2S2 MolecularWeight: 302.3714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)O)CSC3=NC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)O)CSC3=NC=CC=N3

InChI

InChI=1S/C14H10N2O2S2/c17-13(18)12-10(8-19-14-15-6-3-7-16-14)9-4-1-2-5-11(9)20-12/h1-7H,8H2,(H,17,18)