[4-(3-phenylpropoxycarbonyl)phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [4-(3-phenylpropoxycarbonyl)phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [4-(3-phenylpropoxycarbonyl)phenyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [4-[oxo(3-phenylpropoxy)methyl]phenyl] ester IUPAC Name: [4-(3-phenylpropoxycarbonyl)phenyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [4-(3-phenylpropoxycarbonyl)phenyl] ester Formula: C25H19ClO4S MolecularWeight: 450.93396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)C2=CC=C(C=C2)OC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)C2=CC=C(C=C2)OC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C25H19ClO4S/c26-22-20-10-4-5-11-21(20)31-23(22)25(28)30-19-14-12-18(13-15-19)24(27)29-16-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-15H,6,9,16H2