methyl 3-chloranyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: methyl 3-chloro-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-chloro-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-chloro-8-keto-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester Formula: C16H15ClN2O5S MolecularWeight: 382.8187

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CSC2N1C(=O)C2NC(=O)COC3=CC=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=C(CSC2N1C(=O)C2NC(=O)COC3=CC=CC=C3)Cl

InChI

InChI=1S/C16H15ClN2O5S/c1-23-16(22)13-10(17)8-25-15-12(14(21)19(13)15)18-11(20)7-24-9-5-3-2-4-6-9/h2-6,12,15H,7-8H2,1H3,(H,18,20)