2-[4-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]phenyl]phenoxy]-3-phenyl-propanoic acid

Systemtic Name: 2-[4-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]phenyl]phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-[4-[(3-chlorobenzothiophene-2-carbonyl)amino]phenyl]phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[4-[4-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]phenyl]phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenyl]phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-[4-[(3-chlorobenzothiophene-2-carbonyl)amino]phenyl]phenoxy]-3-phenyl-propionic acid Formula: C30H22ClNO4S MolecularWeight: 528.01798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)OC2=CC=C(C=C2)C3=CC=C(C=C3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)OC2=CC=C(C=C2)C3=CC=C(C=C3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C30H22ClNO4S/c31-27-24-8-4-5-9-26(24)37-28(27)29(33)32-22-14-10-20(11-15-22)21-12-16-23(17-13-21)36-25(30(34)35)18-19-6-2-1-3-7-19/h1-17,25H,18H2,(H,32,33)(H,34,35)