methyl 3-(1-bromoethyl)-3-methyl-7-oxidanylidene-6-(2-phenoxyethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: methyl 3-(1-bromoethyl)-3-methyl-7-oxidanylidene-6-(2-phenoxyethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: methyl 3-(1-bromoethyl)-3-methyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3-(1-bromoethyl)-3-methyl-7-oxo-6-[(1-oxo-2-phenoxyethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(1-bromoethyl)-3-methyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 3-(1-bromoethyl)-7-keto-3-methyl-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid methyl ester Formula: C18H21BrN2O5S MolecularWeight: 457.33874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)OC)C)Br

Isomeric SMILES

CC(C1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)OC)C)Br

InChI

InChI=1S/C18H21BrN2O5S/c1-10(19)18(2)14(17(24)25-3)21-15(23)13(16(21)27-18)20-12(22)9-26-11-7-5-4-6-8-11/h4-8,10,13-14,16H,9H2,1-3H3,(H,20,22)