ethyl 4-(4-bromophenyl)-2-(heptanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-(heptanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-(heptanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-(1-oxoheptylamino)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-(heptanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(enanthylamino)thiophene-3-carboxylic acid ethyl ester Formula: C20H24BrNO3S MolecularWeight: 438.37846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Br)C(=O)OCC

Isomeric SMILES

CCCCCCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Br)C(=O)OCC

InChI

InChI=1S/C20H24BrNO3S/c1-3-5-6-7-8-17(23)22-19-18(20(24)25-4-2)16(13-26-19)14-9-11-15(21)12-10-14/h9-13H,3-8H2,1-2H3,(H,22,23)