[(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [(1R)-2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C16H16BrNO4S MolecularWeight: 398.27154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=C(C=CC(=C2)OC)Br

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CS1)OC(=O)C2=C(C=CC(=C2)OC)Br

InChI

InChI=1S/C16H16BrNO4S/c1-10(15(19)18-9-12-4-3-7-23-12)22-16(20)13-8-11(21-2)5-6-14(13)17/h3-8,10H,9H2,1-2H3,(H,18,19)/t10-/m1/s1