[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 3-chloranyl-5-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 3-chloranyl-5-methoxy-1-benzothiophene-2-carboxylate Openeye Name: [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 3-chloro-5-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-5-methoxy-1-benzothiophene-2-carboxylic acid [4-[(2,5-dimethylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-5-methoxy-benzothiophene-2-carboxylic acid [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] ester Formula: C25H20ClNO4S MolecularWeight: 465.9486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2=CC=C(C=C2)OC(=O)C3=C(C4=C(S3)C=CC(=C4)OC)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C2=CC=C(C=C2)OC(=O)C3=C(C4=C(S3)C=CC(=C4)OC)Cl

InChI

InChI=1S/C25H20ClNO4S/c1-14-4-5-15(2)20(12-14)27-24(28)16-6-8-17(9-7-16)31-25(29)23-22(26)19-13-18(30-3)10-11-21(19)32-23/h4-13H,1-3H3,(H,27,28)