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

Systemtic Name: 3-(cyclohexylamino)-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(cyclohexylamino)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(cyclohexylamino)-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(cyclohexylamino)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(cyclohexylamino)-8-keto-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(N3C(C(C3=O)NC(=O)COC4=CC=CC=C4)SC2)C(=O)O

Isomeric SMILES

C1CCC(CC1)NC2=C(N3C(C(C3=O)NC(=O)COC4=CC=CC=C4)SC2)C(=O)O

InChI

InChI=1S/C21H25N3O5S/c25-16(11-29-14-9-5-2-6-10-14)23-17-19(26)24-18(21(27)28)15(12-30-20(17)24)22-13-7-3-1-4-8-13/h2,5-6,9-10,13,17,20,22H,1,3-4,7-8,11-12H2,(H,23,25)(H,27,28)