[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C16H15BrN2O4S MolecularWeight: 411.2703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC=C(S1)Br)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C1=CC=C(S1)Br)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C16H15BrN2O4S/c1-10(18-16(22)19-11-5-3-2-4-6-11)15(21)23-9-12(20)13-7-8-14(17)24-13/h2-8,10H,9H2,1H3,(H2,18,19,22)/t10-/m0/s1