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

Systemtic Name: 7-azanyl-8-oxidanylidene-3-(phenylmethoxycarbonylaminomethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-(benzyloxycarbonylaminomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-8-oxo-3-(phenylmethoxycarbonylaminomethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-8-oxo-3-(phenylmethoxycarbonylaminomethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-3-(benzyloxycarbonylaminomethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)CNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)CNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C16H17N3O5S/c17-11-13(20)19-12(15(21)22)10(8-25-14(11)19)6-18-16(23)24-7-9-4-2-1-3-5-9/h1-5,11,14H,6-8,17H2,(H,18,23)(H,21,22)