[2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(thiophen-3-ylcarbonylamino)butanoate

Systemtic Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxo-ethyl] 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]butanoic acid [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid [2-[1-(4-bromophenyl)ethylamino]-2-keto-ethyl] ester Formula: C19H21BrN2O4S MolecularWeight: 453.35004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)CCCNC(=O)C2=CSC=C2

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)CCCNC(=O)C2=CSC=C2

InChI

InChI=1S/C19H21BrN2O4S/c1-13(14-4-6-16(20)7-5-14)22-17(23)11-26-18(24)3-2-9-21-19(25)15-8-10-27-12-15/h4-8,10,12-13H,2-3,9,11H2,1H3,(H,21,25)(H,22,23)