8-oxidanylidene-3-(1-phenylethyl)-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-3-(1-phenylethyl)-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-3-(1-phenylethyl)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-3-(1-phenylethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-3-(1-phenylethyl)-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-(1-phenylethyl)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC(C1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O4S2/c1-12(13-6-3-2-4-7-13)15-11-29-20-17(19(25)23(20)18(15)21(26)27)22-16(24)10-14-8-5-9-28-14/h2-9,12,17,20H,10-11H2,1H3,(H,22,24)(H,26,27)