ethyl 5-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzothiophene-2-carboxylate CAS Name: 5-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(4-pyrrolidinosulfonylbenzoyl)amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H22N2O5S2/c1-2-29-22(26)20-14-16-13-17(7-10-19(16)30-20)23-21(25)15-5-8-18(9-6-15)31(27,28)24-11-3-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3,(H,23,25)