3-methylbutyl 4-[[4,5-bis(bromanyl)thiophen-2-yl]carbonylamino]benzoate

Systemtic Name: 3-methylbutyl 4-[[4,5-bis(bromanyl)thiophen-2-yl]carbonylamino]benzoate Openeye Name: isopentyl 4-[(4,5-dibromothiophene-2-carbonyl)amino]benzoate CAS Name: 4-[[(4,5-dibromo-2-thiophenyl)-oxomethyl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[(4,5-dibromothiophene-2-carbonyl)amino]benzoate Traditional Name: 4-[(4,5-dibromothiophene-2-carbonyl)amino]benzoic acid isoamyl ester Formula: C17H17Br2NO3S MolecularWeight: 475.19478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(S2)Br)Br

Isomeric SMILES

CC(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(S2)Br)Br

InChI

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