methyl 5-chloranyl-4,7-dimethyl-3-[(2-methylphenyl)carbamoyl]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-chloranyl-4,7-dimethyl-3-[(2-methylphenyl)carbamoyl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-chloro-4,7-dimethyl-3-(o-tolylcarbamoyl)benzothiophene-2-carboxylate CAS Name: 5-chloro-4,7-dimethyl-3-[(2-methylanilino)-oxomethyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-4,7-dimethyl-3-[(2-methylphenyl)carbamoyl]-1-benzothiophene-2-carboxylate Traditional Name: 5-chloro-4,7-dimethyl-3-(o-tolylcarbamoyl)benzothiophene-2-carboxylic acid methyl ester Formula: C20H18ClNO3S MolecularWeight: 387.87982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(SC3=C2C(=C(C=C3C)Cl)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(SC3=C2C(=C(C=C3C)Cl)C)C(=O)OC

InChI

InChI=1S/C20H18ClNO3S/c1-10-7-5-6-8-14(10)22-19(23)16-15-12(3)13(21)9-11(2)17(15)26-18(16)20(24)25-4/h5-9H,1-4H3,(H,22,23)