propan-2-yl 2-[(2-bromophenyl)carbonylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[(2-bromophenyl)carbonylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 2-[(2-bromobenzoyl)amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(2-bromophenyl)-oxomethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2-bromobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(2-bromobenzoyl)amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CC=C2Br)C(=O)OC(C)C)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CC=C2Br)C(=O)OC(C)C)C

InChI

InChI=1S/C21H25BrN2O4S/c1-6-24(7-2)20(26)17-13(5)16(21(27)28-12(3)4)19(29-17)23-18(25)14-10-8-9-11-15(14)22/h8-12H,6-7H2,1-5H3,(H,23,25)