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

Systemtic Name: [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [4-[(2,5-dimethylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] ester Formula: C24H18ClNO3S MolecularWeight: 435.92262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2=CC=C(C=C2)OC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C2=CC=C(C=C2)OC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C24H18ClNO3S/c1-14-7-8-15(2)19(13-14)26-23(27)16-9-11-17(12-10-16)29-24(28)22-21(25)18-5-3-4-6-20(18)30-22/h3-13H,1-2H3,(H,26,27)