(4-nitrophenyl)methyl 7-azanyl-3-ethenylsulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride

Systemtic Name: (4-nitrophenyl)methyl 7-azanyl-3-ethenylsulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride Openeye Name: (4-nitrophenyl)methyl 7-amino-8-oxo-3-vinylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride CAS Name: 7-amino-3-(ethenylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester hydrochloride IUPAC Name: (4-nitrophenyl)methyl 7-amino-3-ethenylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride Traditional Name: 7-amino-8-keto-3-(vinylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester hydrochloride Formula: C16H16ClN3O5S2 MolecularWeight: 429.89834

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Descriptors Computed from Structure

Canonical SMILES:

C=CSC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-].Cl

Isomeric SMILES

C=CSC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C16H15N3O5S2.ClH/c1-2-25-11-8-26-15-12(17)14(20)18(15)13(11)16(21)24-7-9-3-5-10(6-4-9)19(22)23;/h2-6,12,15H,1,7-8,17H2;1H