ethyl 2-[[5-(4-bromophenyl)-1,2-oxazol-3-yl]carbonylamino]-4-methyl-5-propanoyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[5-(4-bromophenyl)-1,2-oxazol-3-yl]carbonylamino]-4-methyl-5-propanoyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[5-(4-bromophenyl)isoxazole-3-carbonyl]amino]-4-methyl-5-propanoyl-thiophene-3-carboxylate CAS Name: 2-[[[5-(4-bromophenyl)-3-isoxazolyl]-oxomethyl]amino]-4-methyl-5-(1-oxopropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(4-bromophenyl)-1,2-oxazole-3-carbonyl]amino]-4-methyl-5-propanoylthiophene-3-carboxylate Traditional Name: 2-[[5-(4-bromophenyl)isoxazole-3-carbonyl]amino]-4-methyl-5-propionyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H19BrN2O5S MolecularWeight: 491.35496

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(=C(S1)NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Br)C(=O)OCC)C

Isomeric SMILES

CCC(=O)C1=C(C(=C(S1)NC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Br)C(=O)OCC)C

InChI

InChI=1S/C21H19BrN2O5S/c1-4-15(25)18-11(3)17(21(27)28-5-2)20(30-18)23-19(26)14-10-16(29-24-14)12-6-8-13(22)9-7-12/h6-10H,4-5H2,1-3H3,(H,23,26)