ethyl 2-[[4-(phenylsulfonyl)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(phenylsulfonyl)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(benzenesulfonyl)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[4-(benzenesulfonyl)phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(benzenesulfonyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-besylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H23NO5S2 MolecularWeight: 469.57312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H23NO5S2/c1-2-30-24(27)21-19-10-6-7-11-20(19)31-23(21)25-22(26)16-12-14-18(15-13-16)32(28,29)17-8-4-3-5-9-17/h3-5,8-9,12-15H,2,6-7,10-11H2,1H3,(H,25,26)