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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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