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

Systemtic Name: 8-oxidanylidene-7-(2-phenylethanoylamino)-3-(pyridin-3-ylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-7-[(2-phenylacetyl)amino]-3-(3-pyridylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-7-[(1-oxo-2-phenylethyl)amino]-3-(3-pyridinylmethylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-7-[(2-phenylacetyl)amino]-3-(pyridin-3-ylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[(2-phenylacetyl)amino]-3-(3-pyridylmethylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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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)SCC4=CN=CC=C4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)SCC4=CN=CC=C4

InChI

InChI=1S/C21H19N3O4S2/c25-16(9-13-5-2-1-3-6-13)23-17-19(26)24-18(21(27)28)15(12-30-20(17)24)29-11-14-7-4-8-22-10-14/h1-8,10,17,20H,9,11-12H2,(H,23,25)(H,27,28)