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

Systemtic Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxo-ethyl] 3-(thiophene-2-carbonylamino)propanoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(2-thenoylamino)propionic acid [2-[1-(4-bromophenyl)ethylamino]-2-keto-ethyl] ester Formula: C18H19BrN2O4S MolecularWeight: 439.32346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)CCNC(=O)C2=CC=CS2

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)CCNC(=O)C2=CC=CS2

InChI

InChI=1S/C18H19BrN2O4S/c1-12(13-4-6-14(19)7-5-13)21-16(22)11-25-17(23)8-9-20-18(24)15-3-2-10-26-15/h2-7,10,12H,8-9,11H2,1H3,(H,20,24)(H,21,22)