methyl 2-[[(E)-3-(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(2-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(2-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(2-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(2-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C17H13BrN2O5S MolecularWeight: 437.26452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OC)Br)O

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C(=O)OC)Br)O

InChI

InChI=1S/C17H13BrN2O5S/c1-24-14-6-9(12(18)7-13(14)21)5-10(8-19)15(22)20-16-11(3-4-26-16)17(23)25-2/h3-7,21H,1-2H3,(H,20,22)/b10-5+