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

Systemtic Name: 8-oxidanylidene-7-(2-phenylethanoylamino)-3-(thiophen-2-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-7-[(2-phenylacetyl)amino]-3-(2-thienylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-7-[(1-oxo-2-phenylethyl)amino]-3-(thiophen-2-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-7-[(2-phenylacetyl)amino]-3-(thiophen-2-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[(2-phenylacetyl)amino]-3-(2-thenyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H18N2O4S2 MolecularWeight: 414.49792

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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)CC4=CC=CS4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)CC4=CC=CS4

InChI

InChI=1S/C20H18N2O4S2/c23-15(9-12-5-2-1-3-6-12)21-16-18(24)22-17(20(25)26)13(11-28-19(16)22)10-14-7-4-8-27-14/h1-8,16,19H,9-11H2,(H,21,23)(H,25,26)