[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 4,5-bis(bromanyl)thiophene-2-carboxylate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 4,5-bis(bromanyl)thiophene-2-carboxylate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 4,5-dibromothiophene-2-carboxylate CAS Name: 4,5-dibromo-2-thiophenecarboxylic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 4,5-dibromothiophene-2-carboxylate Traditional Name: 4,5-dibromothiophene-2-carboxylic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C17H17Br2NO3S MolecularWeight: 475.19478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(S2)Br)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(S2)Br)Br

InChI

InChI=1S/C17H17Br2NO3S/c1-2-3-4-11-5-7-12(8-6-11)20-15(21)10-23-17(22)14-9-13(18)16(19)24-14/h5-9H,2-4,10H2,1H3,(H,20,21)