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

Systemtic Name: 4-[(4-oxidanidyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(4-oxido-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-oxido-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoate IUPAC Name: 4-[(4-oxido-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(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=C(C=C3)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O3S/c18-13-11-2-1-3-12(11)16-15(17-13)21-8-9-4-6-10(7-5-9)14(19)20/h4-7H,1-3,8H2,(H,19,20)(H,16,17,18)/p-2