diethylaminomethyl (6R,7R)-3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: diethylaminomethyl (6R,7R)-3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: diethylaminomethyl (6R,7R)-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-3-methyl-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diethylaminomethyl ester IUPAC Name: diethylaminomethyl (6R,7R)-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-8-keto-3-methyl-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diethylaminomethyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(CC)COC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)COC3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O5S/c1-4-23(5-2)13-29-21(27)18-14(3)12-30-20-17(19(26)24(18)20)22-16(25)11-28-15-9-7-6-8-10-15/h6-10,17,20H,4-5,11-13H2,1-3H3,(H,22,25)/t17-,20-/m1/s1