4-(4-bromophenyl)-4-oxo-2-[(thiophen-2-ylmethyl)amino]butanoic acid

CAS: 1031281-07-8

Formula: C15H14BrNO3S

SMILES: OC(=O)C(CC(=O)C1=CC=C(Br)C=C1)NCC1=CC=CS1

IUPAC: 4-(4-bromophenyl)-4-oxo-2-{[(thiophen-2-yl)methyl]amino}butanoic acid

InChI: InChI=1/C15H14BrNO3S/c16-11-5-3-10(4-6-11)14(18)8-13(15(19)20)17-9-12-2-1-7-21-12/h1-7,13,17H,8-9H2,(H,19,20)

Composition: C (48.93%), H (3.83%), Br (21.70%), N (3.80%), O (13.03%), S (8.71%)

Molar Mass: 368.25

Atom Count: 35

Heavy Atom Count: 21