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

Systemtic Name: methyl 2-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]-4-ethyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]-4-ethyl-thiazole-5-carboxylate CAS Name: 2-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4-ethyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]-4-ethyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]-4-ethyl-thiazole-5-carboxylic acid methyl ester Formula: C17H17BrN2O4S MolecularWeight: 425.29688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O4S/c1-4-12-15(16(22)24-3)25-17(19-12)20-14(21)8-5-10-9-11(18)6-7-13(10)23-2/h5-9H,4H2,1-3H3,(H,19,20,21)/b8-5+