5-[(4-oxidanylidene-6-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: 5-[(4-oxidanylidene-6-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: 5-[[4-oxo-6-(2-thienyl)-1H-pyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-[[(4-oxo-6-thiophen-2-yl-1H-pyrimidin-2-yl)thio]methyl]-2-thiophenecarboxylate IUPAC Name: 5-[(4-oxo-6-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-[[[4-keto-6-(2-thienyl)-1H-pyrimidin-2-yl]thio]methyl]-2-thenoate Formula: C14H9N2O3S3- MolecularWeight: 349.42786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=O)N=C(N2)SCC3=CC=C(S3)C(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=CC(=O)N=C(N2)SCC3=CC=C(S3)C(=O)[O-]

InChI

InChI=1S/C14H10N2O3S3/c17-12-6-9(10-2-1-5-20-10)15-14(16-12)21-7-8-3-4-11(22-8)13(18)19/h1-6H,7H2,(H,18,19)(H,15,16,17)/p-1