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

Systemtic Name: 3-benzamido-7-(2-chloranylethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-benzamido-7-[(2-chloroacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-benzamido-7-[(2-chloro-1-oxoethyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-benzamido-7-[(2-chloroacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-benzamido-7-[(2-chloroacetyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H14ClN3O5S MolecularWeight: 395.81746

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CCl)C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CCl)C(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H14ClN3O5S/c17-6-10(21)19-11-14(23)20-12(16(24)25)9(7-26-15(11)20)18-13(22)8-4-2-1-3-5-8/h1-5,11,15H,6-7H2,(H,18,22)(H,19,21)(H,24,25)