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

Systemtic Name: ethyl 2-[(3-propan-2-ylsulfonylphenyl)carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-isopropylsulfonylbenzoyl)amino]benzothiophene-3-carboxylate CAS Name: 2-[[oxo-(3-propan-2-ylsulfonylphenyl)methyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-propan-2-ylsulfonylbenzoyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-isopropylsulfonylbenzoyl)amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C21H21NO5S2 MolecularWeight: 431.52514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S2/c1-4-27-21(24)18-16-10-5-6-11-17(16)28-20(18)22-19(23)14-8-7-9-15(12-14)29(25,26)13(2)3/h5-13H,4H2,1-3H3,(H,22,23)