ethyl 2-[2-(1-ethylindol-3-yl)sulfonylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1-ethylindol-3-yl)sulfonylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(1-ethylindol-3-yl)sulfonylpropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(1-ethyl-3-indolyl)sulfonyl]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(1-ethylindol-3-yl)sulfonylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(1-ethylindol-3-yl)sulfonylpropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H28N2O5S2 MolecularWeight: 488.61952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)S(=O)(=O)C(C)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)S(=O)(=O)C(C)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC

InChI

InChI=1S/C24H28N2O5S2/c1-4-26-14-20(16-10-6-8-12-18(16)26)33(29,30)15(3)22(27)25-23-21(24(28)31-5-2)17-11-7-9-13-19(17)32-23/h6,8,10,12,14-15H,4-5,7,9,11,13H2,1-3H3,(H,25,27)