methyl 2-[[5-(2-bromanylethanoylamino)-4-(2-chlorophenyl)carbonyl-thiophen-2-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[[5-(2-bromanylethanoylamino)-4-(2-chlorophenyl)carbonyl-thiophen-2-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[5-[(2-bromoacetyl)amino]-4-(2-chlorobenzoyl)thiophene-2-carbonyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[5-[(2-bromo-1-oxoethyl)amino]-4-[(2-chlorophenyl)-oxomethyl]-2-thiophenyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[5-[(2-bromoacetyl)amino]-4-(2-chlorobenzoyl)thiophene-2-carbonyl]amino]-4-methylpentanoate Traditional Name: 2-[[5-[(2-bromoacetyl)amino]-4-(2-chlorobenzoyl)thiophene-2-carbonyl]amino]-4-methyl-valeric acid methyl ester Formula: C21H22BrClN2O5S MolecularWeight: 529.83178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=CC(=C(S1)NC(=O)CBr)C(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C1=CC(=C(S1)NC(=O)CBr)C(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C21H22BrClN2O5S/c1-11(2)8-15(21(29)30-3)24-19(28)16-9-13(20(31-16)25-17(26)10-22)18(27)12-6-4-5-7-14(12)23/h4-7,9,11,15H,8,10H2,1-3H3,(H,24,28)(H,25,26)