8-oxidanylidene-7-(2-phenylethanoylamino)-3-(2-pyridin-3-ylethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-7-(2-phenylethanoylamino)-3-(2-pyridin-3-ylethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-7-[(2-phenylacetyl)amino]-3-[2-(3-pyridyl)ethylsulfanyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-7-[(1-oxo-2-phenylethyl)amino]-3-[2-(3-pyridinyl)ethylthio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-7-[(2-phenylacetyl)amino]-3-(2-pyridin-3-ylethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[(2-phenylacetyl)amino]-3-[2-(3-pyridyl)ethylthio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)SCCC4=CN=CC=C4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)SCCC4=CN=CC=C4

InChI

InChI=1S/C22H21N3O4S2/c26-17(11-14-5-2-1-3-6-14)24-18-20(27)25-19(22(28)29)16(13-31-21(18)25)30-10-8-15-7-4-9-23-12-15/h1-7,9,12,18,21H,8,10-11,13H2,(H,24,26)(H,28,29)