7-azanyl-3-(methoxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 4-methylbenzenesulfonate

Systemtic Name: 7-azanyl-3-(methoxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 4-methylbenzenesulfonate Openeye Name: 7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 4-methylbenzenesulfonate CAS Name: 7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 4-methylbenzenesulfonate IUPAC Name: 7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 4-methylbenzenesulfonate Traditional Name: 7-amino-8-keto-3-(methoxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate tosylate Formula: C16H18N2O7S2-2 MolecularWeight: 414.45332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].COCC1=C(N2C(C(C2=O)N)SC1)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].COCC1=C(N2C(C(C2=O)N)SC1)C(=O)[O-]

InChI

InChI=1S/C9H12N2O4S.C7H8O3S/c1-15-2-4-3-16-8-5(10)7(12)11(8)6(4)9(13)14;1-6-2-4-7(5-3-6)11(8,9)10/h5,8H,2-3,10H2,1H3,(H,13,14);2-5H,1H3,(H,8,9,10)/p-2