(3R)-3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-(4-cyclopentyloxyphenyl)propanoic acid

Systemtic Name: (3R)-3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-(4-cyclopentyloxyphenyl)propanoic acid Openeye Name: (3R)-3-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-[4-(cyclopentoxy)phenyl]propanoic acid CAS Name: (3R)-3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(4-cyclopentyloxyphenyl)propanoic acid IUPAC Name: (3R)-3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-(4-cyclopentyloxyphenyl)propanoic acid Traditional Name: (3R)-3-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-[4-(cyclopentoxy)phenyl]propionic acid Formula: C23H22ClNO4S MolecularWeight: 443.94308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=C(C=C2)C(CC(=O)O)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCC(C1)OC2=CC=C(C=C2)[C@@H](CC(=O)O)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C23H22ClNO4S/c24-21-17-7-3-4-8-19(17)30-22(21)23(28)25-18(13-20(26)27)14-9-11-16(12-10-14)29-15-5-1-2-6-15/h3-4,7-12,15,18H,1-2,5-6,13H2,(H,25,28)(H,26,27)/t18-/m1/s1