ethyl 2-[3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[3-(5-bromo-2-ethoxy-phenyl)prop-2-enoylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[3-(5-bromo-2-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(5-bromo-2-ethoxyphenyl)prop-2-enoylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[3-(5-bromo-2-ethoxy-phenyl)acryloyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C18H19BrN2O4S MolecularWeight: 439.32346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2=NC(=C(S2)C(=O)OCC)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2=NC(=C(S2)C(=O)OCC)C

InChI

InChI=1S/C18H19BrN2O4S/c1-4-24-14-8-7-13(19)10-12(14)6-9-15(22)21-18-20-11(3)16(26-18)17(23)25-5-2/h6-10H,4-5H2,1-3H3,(H,20,21,22)