[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butanoate CAS Name: 3-methyl-2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]butanoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate Traditional Name: 3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butyric acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C23H22BrNO4S MolecularWeight: 488.39408

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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=CC3=CC=CC=C32

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)C1=CC=C(S1)Br)NC(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C23H22BrNO4S/c1-14(2)22(23(28)29-13-18(26)19-10-11-20(24)30-19)25-21(27)12-16-8-5-7-15-6-3-4-9-17(15)16/h3-11,14,22H,12-13H2,1-2H3,(H,25,27)