(2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 4-(thiophene-2-carbonylamino)butanoate CAS Name: 4-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 4-(thiophene-2-carbonylamino)butanoate Traditional Name: 4-(2-thenoylamino)butyric acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C18H17BrN2O4S MolecularWeight: 437.30758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CCCNC(=O)C2=CC=CS2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CCCNC(=O)C2=CC=CS2

InChI

InChI=1S/C18H17BrN2O4S/c1-2-24-14-10-12(11-20)9-13(19)17(14)25-16(22)6-3-7-21-18(23)15-5-4-8-26-15/h4-5,8-10H,2-3,6-7H2,1H3,(H,21,23)