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

Systemtic Name: 3-(2-hydroxyethylsulfanylmethyl)-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(2-hydroxyethylsulfanylmethyl)-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(2-hydroxyethylthio)methyl]-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(2-hydroxyethylsulfanylmethyl)-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(2-hydroxyethylthio)methyl]-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S2/c21-6-7-25-10-13-11-26-17-14(9-20(17)16(13)18(23)24)19-15(22)8-12-4-2-1-3-5-12/h1-5,14,17,21H,6-11H2,(H,19,22)(H,23,24)