7-azanyl-8-oxidanylidene-3-[(phenylmethylsulfanyl)carbonylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-8-oxidanylidene-3-[(phenylmethylsulfanyl)carbonylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-(benzylsulfanylcarbonylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-8-oxo-3-[[oxo-(phenylmethylthio)methyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-(benzylsulfanylcarbonylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-3-[(benzylthio)carbonylamino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H15N3O4S2 MolecularWeight: 365.4273

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)NC(=O)SCC3=CC=CC=C3

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)NC(=O)SCC3=CC=CC=C3

InChI

InChI=1S/C15H15N3O4S2/c16-10-12(19)18-11(14(20)21)9(7-23-13(10)18)17-15(22)24-6-8-4-2-1-3-5-8/h1-5,10,13H,6-7,16H2,(H,17,22)(H,20,21)