[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]-3-phenylpropanoic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-phenyl-2-(2-thenoylamino)propionic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C22H19BrN2O4S MolecularWeight: 487.36626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC(=O)NC2=CC=C(C=C2)Br)NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC(=O)NC2=CC=C(C=C2)Br)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H19BrN2O4S/c23-16-8-10-17(11-9-16)24-20(26)14-29-22(28)18(13-15-5-2-1-3-6-15)25-21(27)19-7-4-12-30-19/h1-12,18H,13-14H2,(H,24,26)(H,25,27)