methyl 3-bromanyl-4-[(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl]oxy-benzoate

Systemtic Name: methyl 3-bromanyl-4-[(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl]oxy-benzoate Openeye Name: methyl 3-bromo-4-[(1R)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethoxy]benzoate CAS Name: 3-bromo-4-[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]oxybenzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]oxybenzoate Traditional Name: 3-bromo-4-[(1R)-2-keto-1-methyl-2-(2-thenylamino)ethoxy]benzoic acid methyl ester Formula: C16H16BrNO4S MolecularWeight: 398.27154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC2=C(C=C(C=C2)C(=O)OC)Br

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CS1)OC2=C(C=C(C=C2)C(=O)OC)Br

InChI

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