ethyl 2-[(4-propan-2-ylphenyl)carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-propan-2-ylphenyl)carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-isopropylbenzoyl)amino]benzothiophene-3-carboxylate CAS Name: 2-[[oxo-(4-propan-2-ylphenyl)methyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-propan-2-ylbenzoyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-(cumoylamino)benzothiophene-3-carboxylic acid ethyl ester Formula: C21H21NO3S MolecularWeight: 367.46134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H21NO3S/c1-4-25-21(24)18-16-7-5-6-8-17(16)26-20(18)22-19(23)15-11-9-14(10-12-15)13(2)3/h5-13H,4H2,1-3H3,(H,22,23)