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

Systemtic Name: 3-(2-carboxyethylsulfanylmethyl)-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(2-carboxyethylsulfanylmethyl)-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(2-carboxyethylthio)methyl]-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(2-carboxyethylsulfanylmethyl)-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(2-carboxyethylthio)methyl]-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2N1C(=C(CS2)CSCCC(=O)O)C(=O)O)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1C(C2N1C(=C(CS2)CSCCC(=O)O)C(=O)O)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O5S2/c22-15(8-12-4-2-1-3-5-12)20-14-9-21-17(19(25)26)13(11-28-18(14)21)10-27-7-6-16(23)24/h1-5,14,18H,6-11H2,(H,20,22)(H,23,24)(H,25,26)