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

Systemtic Name: methyl 2-[(3-propan-2-ylsulfonylphenyl)carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(3-isopropylsulfonylbenzoyl)amino]benzothiophene-3-carboxylate CAS Name: 2-[[oxo-(3-propan-2-ylsulfonylphenyl)methyl]amino]-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-propan-2-ylsulfonylbenzoyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-isopropylsulfonylbenzoyl)amino]benzothiophene-3-carboxylic acid methyl ester Formula: C20H19NO5S2 MolecularWeight: 417.49856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C20H19NO5S2/c1-12(2)28(24,25)14-8-6-7-13(11-14)18(22)21-19-17(20(23)26-3)15-9-4-5-10-16(15)27-19/h4-12H,1-3H3,(H,21,22)