2-[2-(4-bromophenyl)sulfanylethanoyl-(cyclopropylmethyl)amino]ethanoic acid

Systemtic Name: 2-[2-(4-bromophenyl)sulfanylethanoyl-(cyclopropylmethyl)amino]ethanoic acid Openeye Name: 2-[[2-(4-bromophenyl)sulfanylacetyl]-(cyclopropylmethyl)amino]acetic acid CAS Name: 2-[[2-[(4-bromophenyl)thio]-1-oxoethyl]-(cyclopropylmethyl)amino]acetic acid IUPAC Name: 2-[[2-(4-bromophenyl)sulfanylacetyl]-(cyclopropylmethyl)amino]acetic acid Traditional Name: 2-[[2-[(4-bromophenyl)thio]acetyl]-(cyclopropylmethyl)amino]acetic acid Formula: C14H16BrNO3S MolecularWeight: 358.25074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN(CC(=O)O)C(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

C1CC1CN(CC(=O)O)C(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H16BrNO3S/c15-11-3-5-12(6-4-11)20-9-13(17)16(8-14(18)19)7-10-1-2-10/h3-6,10H,1-2,7-9H2,(H,18,19)