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

Systemtic Name: ethyl 2-[3-[(3-methylphenyl)carbonylamino]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-[(3-methylbenzoyl)amino]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[[(3-methylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-[(3-methylbenzoyl)amino]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(m-toluoylamino)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-3-28-22(27)19-16-9-4-5-10-17(16)29-21(19)24-18(25)11-12-23-20(26)15-8-6-7-14(2)13-15/h6-8,13H,3-5,9-12H2,1-2H3,(H,23,26)(H,24,25)