[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 5-methylthiophene-2-carboxylate

Systemtic Name: [2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 5-methylthiophene-2-carboxylate Openeye Name: [2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl] 5-methylthiophene-2-carboxylate CAS Name: 5-methyl-2-thiophenecarboxylic acid [2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 5-methylthiophene-2-carboxylate Traditional Name: 5-methylthiophene-2-carboxylic acid [2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C16H16BrNO3S MolecularWeight: 382.27214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)OCC(=O)NC(C)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC=C(S1)C(=O)OCC(=O)N[C@@H](C)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H16BrNO3S/c1-10-3-8-14(22-10)16(20)21-9-15(19)18-11(2)12-4-6-13(17)7-5-12/h3-8,11H,9H2,1-2H3,(H,18,19)/t11-/m0/s1