ethyl 5-(azepan-1-ylcarbonyl)-2-[(4-bromophenyl)carbonylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-(azepan-1-ylcarbonyl)-2-[(4-bromophenyl)carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(azepane-1-carbonyl)-2-[(4-bromobenzoyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[1-azepanyl(oxo)methyl]-2-[[(4-bromophenyl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(azepane-1-carbonyl)-2-[(4-bromobenzoyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(azepane-1-carbonyl)-2-[(4-bromobenzoyl)amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H25BrN2O4S MolecularWeight: 493.4139

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCCCCC2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCCCCC2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H25BrN2O4S/c1-3-29-22(28)17-14(2)18(21(27)25-12-6-4-5-7-13-25)30-20(17)24-19(26)15-8-10-16(23)11-9-15/h8-11H,3-7,12-13H2,1-2H3,(H,24,26)