2-diethylaminoethyl 5-bromanyl-2-phenyl-1,3-thiazole-4-carboxylate

Systemtic Name: 2-diethylaminoethyl 5-bromanyl-2-phenyl-1,3-thiazole-4-carboxylate Openeye Name: 2-diethylaminoethyl 5-bromo-2-phenyl-thiazole-4-carboxylate CAS Name: 5-bromo-2-phenyl-4-thiazolecarboxylic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 5-bromo-2-phenyl-1,3-thiazole-4-carboxylate Traditional Name: 5-bromo-2-phenyl-thiazole-4-carboxylic acid 2-diethylaminoethyl ester Formula: C16H19BrN2O2S MolecularWeight: 383.30326

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=C(SC(=N1)C2=CC=CC=C2)Br

Isomeric SMILES

CCN(CC)CCOC(=O)C1=C(SC(=N1)C2=CC=CC=C2)Br

InChI

InChI=1S/C16H19BrN2O2S/c1-3-19(4-2)10-11-21-16(20)13-14(17)22-15(18-13)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3