ethyl 2-[4-[(2-ethoxyphenyl)carbonylamino]butanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-[(2-ethoxyphenyl)carbonylamino]butanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[4-[[(2-ethoxyphenyl)-oxomethyl]amino]-1-oxobutyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CCCNC(=O)C2=CC=CC=C2OCC)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CCCNC(=O)C2=CC=CC=C2OCC)C(=O)OCC

InChI

InChI=1S/C22H28N2O5S/c1-4-15-14-17(22(27)29-6-3)21(30-15)24-19(25)12-9-13-23-20(26)16-10-7-8-11-18(16)28-5-2/h7-8,10-11,14H,4-6,9,12-13H2,1-3H3,(H,23,26)(H,24,25)