ethyl 5-(3-cyclopentylsulfonylpropanoylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-(3-cyclopentylsulfonylpropanoylamino)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-(3-cyclopentylsulfonylpropanoylamino)benzothiophene-2-carboxylate CAS Name: 5-[(3-cyclopentylsulfonyl-1-oxopropyl)amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-cyclopentylsulfonylpropanoylamino)-1-benzothiophene-2-carboxylate Traditional Name: 5-(3-cyclopentylsulfonylpropanoylamino)benzothiophene-2-carboxylic acid ethyl ester Formula: C19H23NO5S2 MolecularWeight: 409.51962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CCS(=O)(=O)C3CCCC3

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CCS(=O)(=O)C3CCCC3

InChI

InChI=1S/C19H23NO5S2/c1-2-25-19(22)17-12-13-11-14(7-8-16(13)26-17)20-18(21)9-10-27(23,24)15-5-3-4-6-15/h7-8,11-12,15H,2-6,9-10H2,1H3,(H,20,21)