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

Systemtic Name: 8-oxidanylidene-7-(2-phenylethanoylamino)-3-phenylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Openeye Name: 8-oxo-7-[(2-phenylacetyl)amino]-3-phenylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid CAS Name: 8-oxo-7-[(1-oxo-2-phenylethyl)amino]-3-(phenylthio)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid IUPAC Name: 8-oxo-7-[(2-phenylacetyl)amino]-3-phenylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Traditional Name: 8-keto-7-[(2-phenylacetyl)amino]-3-(phenylthio)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC2C3N(C2=O)C(C(=CS3)SC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC2C3N(C2=O)C(C(=CS3)SC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H18N2O4S2/c24-16(11-13-7-3-1-4-8-13)22-17-19(25)23-18(21(26)27)15(12-28-20(17)23)29-14-9-5-2-6-10-14/h1-10,12,17-18,20H,11H2,(H,22,24)(H,26,27)