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

Systemtic Name: ethyl 2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(p-tolylsulfonylamino)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[(4-methylphenyl)sulfonylamino]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(tosylamino)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S2/c1-3-28-21(25)19-16-6-4-5-7-17(16)29-20(19)23-18(24)12-13-22-30(26,27)15-10-8-14(2)9-11-15/h8-11,22H,3-7,12-13H2,1-2H3,(H,23,24)