methyl 3-[5-(2-bromanylethanoylamino)-4-(2-chlorophenyl)carbonyl-thiophen-2-yl]propanoate

Systemtic Name: methyl 3-[5-(2-bromanylethanoylamino)-4-(2-chlorophenyl)carbonyl-thiophen-2-yl]propanoate Openeye Name: methyl 3-[5-[(2-bromoacetyl)amino]-4-(2-chlorobenzoyl)-2-thienyl]propanoate CAS Name: 3-[5-[(2-bromo-1-oxoethyl)amino]-4-[(2-chlorophenyl)-oxomethyl]-2-thiophenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-[(2-bromoacetyl)amino]-4-(2-chlorobenzoyl)thiophen-2-yl]propanoate Traditional Name: 3-[5-[(2-bromoacetyl)amino]-4-(2-chlorobenzoyl)-2-thienyl]propionic acid methyl ester Formula: C17H15BrClNO4S MolecularWeight: 444.7273

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(=C(S1)NC(=O)CBr)C(=O)C2=CC=CC=C2Cl

Isomeric SMILES

COC(=O)CCC1=CC(=C(S1)NC(=O)CBr)C(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C17H15BrClNO4S/c1-24-15(22)7-6-10-8-12(17(25-10)20-14(21)9-18)16(23)11-4-2-3-5-13(11)19/h2-5,8H,6-7,9H2,1H3,(H,20,21)