ethyl 6-azanyl-2-[2-[5-bromanyl-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylethanoylamino]hexanoate

Systemtic Name: ethyl 6-azanyl-2-[2-[5-bromanyl-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylethanoylamino]hexanoate Openeye Name: ethyl 6-amino-2-[[2-[5-bromo-1-(4-cyano-1-naphthyl)imidazol-2-yl]sulfanylacetyl]amino]hexanoate CAS Name: 6-amino-2-[[2-[[5-bromo-1-(4-cyano-1-naphthalenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-amino-2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]hexanoate Traditional Name: 6-amino-2-[[2-[[5-bromo-1-(4-cyano-1-naphthyl)imidazol-2-yl]thio]acetyl]amino]hexanoic acid ethyl ester Formula: C24H26BrN5O3S MolecularWeight: 544.46394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCN)NC(=O)CSC1=NC=C(N1C2=CC=C(C3=CC=CC=C32)C#N)Br

Isomeric SMILES

CCOC(=O)C(CCCCN)NC(=O)CSC1=NC=C(N1C2=CC=C(C3=CC=CC=C32)C#N)Br

InChI

InChI=1S/C24H26BrN5O3S/c1-2-33-23(32)19(9-5-6-12-26)29-22(31)15-34-24-28-14-21(25)30(24)20-11-10-16(13-27)17-7-3-4-8-18(17)20/h3-4,7-8,10-11,14,19H,2,5-6,9,12,15,26H2,1H3,(H,29,31)