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

Systemtic Name: ethyl 2-[[1-(phenylsulfonyl)cyclopropyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(benzenesulfonyl)cyclopropanecarbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[1-(benzenesulfonyl)cyclopropyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(benzenesulfonyl)cyclopropanecarbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-besylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H23NO5S2 MolecularWeight: 433.54102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23NO5S2/c1-2-27-19(23)17-15-10-6-7-11-16(15)28-18(17)22-20(24)21(12-13-21)29(25,26)14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,22,24)