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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-(octanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-(octanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-(1-oxooctylamino)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-(octanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(caprylylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H26BrNO3S MolecularWeight: 452.40504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrNO3S/c1-3-5-6-7-8-9-18(24)23-20-19(21(25)26-4-2)17(14-27-20)15-10-12-16(22)13-11-15/h10-14H,3-9H2,1-2H3,(H,23,24)