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

Systemtic Name: methyl 2-[[5-(2-bromanylethanoylamino)-4-(2-chlorophenyl)carbonyl-thiophen-2-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[5-[(2-bromoacetyl)amino]-4-(2-chlorobenzoyl)thiophene-2-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[5-[(2-bromo-1-oxoethyl)amino]-4-[(2-chlorophenyl)-oxomethyl]-2-thiophenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[5-[(2-bromoacetyl)amino]-4-(2-chlorobenzoyl)thiophene-2-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[5-[(2-bromoacetyl)amino]-4-(2-chlorobenzoyl)thiophene-2-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C20H20BrClN2O5S2 MolecularWeight: 547.8702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrClN2O5S2/c1-29-20(28)14(7-8-30-2)23-18(27)15-9-12(19(31-15)24-16(25)10-21)17(26)11-5-3-4-6-13(11)22/h3-6,9,14H,7-8,10H2,1-2H3,(H,23,27)(H,24,25)