[4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butyl] 4,5-bis(bromanyl)thiophene-2-carboxylate

Systemtic Name: [4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butyl] 4,5-bis(bromanyl)thiophene-2-carboxylate Openeye Name: [4-(2,6-dimethylanilino)-4-oxo-butyl] 4,5-dibromothiophene-2-carboxylate CAS Name: 4,5-dibromo-2-thiophenecarboxylic acid [4-(2,6-dimethylanilino)-4-oxobutyl] ester IUPAC Name: [4-(2,6-dimethylanilino)-4-oxobutyl] 4,5-dibromothiophene-2-carboxylate Traditional Name: 4,5-dibromothiophene-2-carboxylic acid [4-(2,6-dimethylanilino)-4-keto-butyl] ester Formula: C17H17Br2NO3S MolecularWeight: 475.19478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCCOC(=O)C2=CC(=C(S2)Br)Br

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCCOC(=O)C2=CC(=C(S2)Br)Br

InChI

InChI=1S/C17H17Br2NO3S/c1-10-5-3-6-11(2)15(10)20-14(21)7-4-8-23-17(22)13-9-12(18)16(19)24-13/h3,5-6,9H,4,7-8H2,1-2H3,(H,20,21)