dimethyl 2-[(4-bromanyl-2-thiophen-2-yl-phenyl)carbonylamino]pentanedioate

Systemtic Name: dimethyl 2-[(4-bromanyl-2-thiophen-2-yl-phenyl)carbonylamino]pentanedioate Openeye Name: dimethyl 2-[[4-bromo-2-(2-thienyl)benzoyl]amino]pentanedioate CAS Name: 2-[[(4-bromo-2-thiophen-2-ylphenyl)-oxomethyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-bromo-2-thiophen-2-ylbenzoyl)amino]pentanedioate Traditional Name: 2-[[4-bromo-2-(2-thienyl)benzoyl]amino]glutaric acid dimethyl ester Formula: C18H18BrNO5S MolecularWeight: 440.30822

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C(=O)OC)NC(=O)C1=C(C=C(C=C1)Br)C2=CC=CS2

Isomeric SMILES

COC(=O)CCC(C(=O)OC)NC(=O)C1=C(C=C(C=C1)Br)C2=CC=CS2

InChI

InChI=1S/C18H18BrNO5S/c1-24-16(21)8-7-14(18(23)25-2)20-17(22)12-6-5-11(19)10-13(12)15-4-3-9-26-15/h3-6,9-10,14H,7-8H2,1-2H3,(H,20,22)