(2-bromanyl-4,5-diethoxy-phenyl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid (2-bromo-4,5-diethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid (2-bromo-4,5-diethoxy-benzyl) ester Formula: C18H21BrN2O4S MolecularWeight: 441.33934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)COC(=O)C2=CSC(=N2)NCC=C)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)COC(=O)C2=CSC(=N2)NCC=C)Br)OCC

InChI

InChI=1S/C18H21BrN2O4S/c1-4-7-20-18-21-14(11-26-18)17(22)25-10-12-8-15(23-5-2)16(24-6-3)9-13(12)19/h4,8-9,11H,1,5-7,10H2,2-3H3,(H,20,21)