propan-2-yl 5-aminocarbonyl-2-[[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]carbonylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: propan-2-yl 5-aminocarbonyl-2-[[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 2-[[3-(3-bromophenyl)-4,5-dihydroisoxazole-5-carbonyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(3-bromophenyl)-4,5-dihydroisoxazol-5-yl]-oxomethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[3-(3-bromophenyl)-2-isoxazoline-5-carbonyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C20H20BrN3O5S MolecularWeight: 494.3589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2CC(=NO2)C3=CC(=CC=C3)Br)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2CC(=NO2)C3=CC(=CC=C3)Br)C(=O)N

InChI

InChI=1S/C20H20BrN3O5S/c1-9(2)28-20(27)15-10(3)16(17(22)25)30-19(15)23-18(26)14-8-13(24-29-14)11-5-4-6-12(21)7-11/h4-7,9,14H,8H2,1-3H3,(H2,22,25)(H,23,26)