methyl 2-[(4-bromanyl-2-chloranyl-phenyl)carbonylamino]-3-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: methyl 2-[(4-bromanyl-2-chloranyl-phenyl)carbonylamino]-3-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: methyl 2-[(4-bromo-2-chloro-benzoyl)amino]-3-(thiophene-2-carbonylamino)propanoate CAS Name: 2-[[(4-bromo-2-chlorophenyl)-oxomethyl]amino]-3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-2-chlorobenzoyl)amino]-3-(thiophene-2-carbonylamino)propanoate Traditional Name: 2-[(4-bromo-2-chloro-benzoyl)amino]-3-(2-thenoylamino)propionic acid methyl ester Formula: C16H14BrClN2O4S MolecularWeight: 445.71536

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CNC(=O)C1=CC=CS1)NC(=O)C2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

COC(=O)C(CNC(=O)C1=CC=CS1)NC(=O)C2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C16H14BrClN2O4S/c1-24-16(23)12(8-19-15(22)13-3-2-6-25-13)20-14(21)10-5-4-9(17)7-11(10)18/h2-7,12H,8H2,1H3,(H,19,22)(H,20,21)