[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: 3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: 3-methyl-2-[(2-phenylacetyl)amino]butyric acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C19H20BrNO4S MolecularWeight: 438.3354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CC=C(S1)Br)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)C1=CC=C(S1)Br)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C19H20BrNO4S/c1-12(2)18(21-17(23)10-13-6-4-3-5-7-13)19(24)25-11-14(22)15-8-9-16(20)26-15/h3-9,12,18H,10-11H2,1-2H3,(H,21,23)