[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 5-methyl-3-phenyl-isoxazole-4-carboxylate CAS Name: 5-methyl-3-phenyl-4-isoxazolecarboxylic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate Traditional Name: 5-methyl-3-phenyl-isoxazole-4-carboxylic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C17H12BrNO4S MolecularWeight: 406.25048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C17H12BrNO4S/c1-10-15(16(19-23-10)11-5-3-2-4-6-11)17(21)22-9-12(20)13-7-8-14(18)24-13/h2-8H,9H2,1H3