(3-bromophenyl)methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: (3-bromophenyl)methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: (3-bromophenyl)methyl 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid (3-bromobenzyl) ester Formula: C18H13BrClNO3S MolecularWeight: 438.72272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC(=O)OCC3=CC(=CC=C3)Br)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC(=O)OCC3=CC(=CC=C3)Br)Cl

InChI

InChI=1S/C18H13BrClNO3S/c19-12-5-3-4-11(8-12)10-24-15(22)9-21-18(23)17-16(20)13-6-1-2-7-14(13)25-17/h1-8H,9-10H2,(H,21,23)