3-[(4-azanyl-1H-cyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-[(4-azanyl-1H-cyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-[(4-amino-1H-cyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[[(4-amino-1H-cyclopenta[d]pyrimidin-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-[(4-amino-1H-cyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[[(4-amino-1H-cyclopenta[d]pyrimidin-2-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C15H13N4O3S2- MolecularWeight: 361.41872

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(CS2)CSC3=NC(=C4C=CC=C4N3)N)C(=O)[O-]

Isomeric SMILES

C1C2N(C1=O)C(=C(CS2)CSC3=NC(=C4C=CC=C4N3)N)C(=O)[O-]

InChI

InChI=1S/C15H14N4O3S2/c16-13-8-2-1-3-9(8)17-15(18-13)24-6-7-5-23-11-4-10(20)19(11)12(7)14(21)22/h1-3,11H,4-6,16H2,(H,17,18)(H,21,22)/p-1