propan-2-yl 5-aminocarbonyl-2-[[5-[(2-bromanylphenoxy)methyl]furan-2-yl]carbonylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: propan-2-yl 5-aminocarbonyl-2-[[5-[(2-bromanylphenoxy)methyl]furan-2-yl]carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 2-[[5-[(2-bromophenoxy)methyl]furan-2-carbonyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[5-[(2-bromophenoxy)methyl]-2-furanyl]-oxomethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[5-[(2-bromophenoxy)methyl]furan-2-carbonyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[5-[(2-bromophenoxy)methyl]-2-furoyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C22H21BrN2O6S MolecularWeight: 521.38094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3Br)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3Br)C(=O)N

InChI

InChI=1S/C22H21BrN2O6S/c1-11(2)30-22(28)17-12(3)18(19(24)26)32-21(17)25-20(27)16-9-8-13(31-16)10-29-15-7-5-4-6-14(15)23/h4-9,11H,10H2,1-3H3,(H2,24,26)(H,25,27)