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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)NC(=O)C=CC2=C(C=CC(=C2)Br)OCC)C(=O)OC

Isomeric SMILES

CCC1=C(SC(=N1)NC(=O)/C=C/C2=C(C=CC(=C2)Br)OCC)C(=O)OC

InChI

InChI=1S/C18H19BrN2O4S/c1-4-13-16(17(23)24-3)26-18(20-13)21-15(22)9-6-11-10-12(19)7-8-14(11)25-5-2/h6-10H,4-5H2,1-3H3,(H,20,21,22)/b9-6+