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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-(hexanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-(hexanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-(1-oxohexylamino)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-(hexanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(caproylamino)thiophene-3-carboxylic acid ethyl ester Formula: C19H22BrNO3S MolecularWeight: 424.35188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrNO3S/c1-3-5-6-7-16(22)21-18-17(19(23)24-4-2)15(12-25-18)13-8-10-14(20)11-9-13/h8-12H,3-7H2,1-2H3,(H,21,22)