ethyl 2-[3-[(4-bromophenyl)carbonylamino]propanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-[(4-bromophenyl)carbonylamino]propanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-[(4-bromobenzoyl)amino]propanoylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[3-[[(4-bromophenyl)-oxomethyl]amino]-1-oxopropyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-[(4-bromobenzoyl)amino]propanoylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[3-[(4-bromobenzoyl)amino]propanoylamino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H21BrN2O4S MolecularWeight: 453.35004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br)C(=O)OCC

InChI

InChI=1S/C19H21BrN2O4S/c1-3-14-11-15(19(25)26-4-2)18(27-14)22-16(23)9-10-21-17(24)12-5-7-13(20)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,21,24)(H,22,23)