7-(2-chloranylethanoylamino)-3-methyl-8-oxidanylidene-7-phenylmethoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-(2-chloranylethanoylamino)-3-methyl-8-oxidanylidene-7-phenylmethoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-benzyloxy-7-[(2-chloroacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-chloro-1-oxoethyl)amino]-3-methyl-8-oxo-7-phenylmethoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-chloroacetyl)amino]-3-methyl-8-oxo-7-phenylmethoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-benzoxy-7-[(2-chloroacetyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)(NC(=O)CCl)OCC3=CC=CC=C3)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)(NC(=O)CCl)OCC3=CC=CC=C3)SC1)C(=O)O

InChI

InChI=1S/C17H17ClN2O5S/c1-10-9-26-16-17(19-12(21)7-18,15(24)20(16)13(10)14(22)23)25-8-11-5-3-2-4-6-11/h2-6,16H,7-9H2,1H3,(H,19,21)(H,22,23)