(2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 3-(thiophene-2-carbonylamino)propanoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 3-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(2-thenoylamino)propionic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C17H15BrN2O4S MolecularWeight: 423.281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O4S/c1-2-23-13-9-11(10-19)8-12(18)16(13)24-15(21)5-6-20-17(22)14-4-3-7-25-14/h3-4,7-9H,2,5-6H2,1H3,(H,20,22)