5-[[4-(3-methoxyphenyl)-6-oxidanidyl-pyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: 5-[[4-(3-methoxyphenyl)-6-oxidanidyl-pyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: 5-[[4-(3-methoxyphenyl)-6-oxido-pyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-[[[4-(3-methoxyphenyl)-6-oxido-2-pyrimidinyl]thio]methyl]-2-thiophenecarboxylate IUPAC Name: 5-[[4-(3-methoxyphenyl)-6-oxidopyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-[[[4-(3-methoxyphenyl)-6-oxido-pyrimidin-2-yl]thio]methyl]-2-thenoate Formula: C17H12N2O4S2-2 MolecularWeight: 372.41818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=NC(=N2)SCC3=CC=C(S3)C(=O)[O-])[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=NC(=N2)SCC3=CC=C(S3)C(=O)[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)/p-2