(phenylmethyl) 6-(1-azanylethyl)-6-bromanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (phenylmethyl) 6-(1-azanylethyl)-6-bromanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-(1-aminoethyl)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-(1-aminoethyl)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-(1-aminoethyl)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-(1-aminoethyl)-6-bromo-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C17H21BrN2O3S MolecularWeight: 413.32924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(C2N(C1=O)C(C(S2)(C)C)C(=O)OCC3=CC=CC=C3)Br)N

Isomeric SMILES

CC(C1(C2N(C1=O)C(C(S2)(C)C)C(=O)OCC3=CC=CC=C3)Br)N

InChI

InChI=1S/C17H21BrN2O3S/c1-10(19)17(18)14(22)20-12(16(2,3)24-15(17)20)13(21)23-9-11-7-5-4-6-8-11/h4-8,10,12,15H,9,19H2,1-3H3