3-[(4-oxidanidyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: 3-[(4-oxidanidyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: 3-[(4-oxido-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-oxido-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoate IUPAC Name: 3-[(4-oxido-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-oxido-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoate Formula: C15H12N2O3S-2 MolecularWeight: 300.33238

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C(N=C2[O-])SCC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1CC2=C(C1)N=C(N=C2[O-])SCC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C15H14N2O3S/c18-13-11-5-2-6-12(11)16-15(17-13)21-8-9-3-1-4-10(7-9)14(19)20/h1,3-4,7H,2,5-6,8H2,(H,19,20)(H,16,17,18)/p-2