[(2S)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-5-bromanyl-benzoate

Systemtic Name: [(2S)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [(1S)-2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [(1S)-2-keto-1-methyl-2-(p-phenetidino)ethyl] ester Formula: C18H19BrN2O4 MolecularWeight: 407.25846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)Br)N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=C(C=CC(=C2)Br)N

InChI

InChI=1S/C18H19BrN2O4/c1-3-24-14-7-5-13(6-8-14)21-17(22)11(2)25-18(23)15-10-12(19)4-9-16(15)20/h4-11H,3,20H2,1-2H3,(H,21,22)/t11-/m0/s1