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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-(pentanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-(pentanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-(1-oxopentylamino)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-(pentanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(valerylamino)thiophene-3-carboxylic acid ethyl ester Formula: C18H20BrNO3S MolecularWeight: 410.3253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrNO3S/c1-3-5-6-15(21)20-17-16(18(22)23-4-2)14(11-24-17)12-7-9-13(19)10-8-12/h7-11H,3-6H2,1-2H3,(H,20,21)