ethyl 2-[3-(phenylsulfonylamino)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(phenylsulfonylamino)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(benzenesulfonamido)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(benzenesulfonamido)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(benzenesulfonamido)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(benzenesulfonamido)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S2/c1-2-27-20(24)18-15-10-6-7-11-16(15)28-19(18)22-17(23)12-13-21-29(25,26)14-8-4-3-5-9-14/h3-5,8-9,21H,2,6-7,10-13H2,1H3,(H,22,23)