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

Systemtic Name: methyl 2-[[(E)-3-(4-acetyloxy-3-bromanyl-5-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(4-acetoxy-3-bromo-5-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-acetyloxy-3-bromo-5-methoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(4-acetyloxy-3-bromo-5-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-acetoxy-3-bromo-5-methoxy-phenyl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C19H15BrN2O6S MolecularWeight: 479.3012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1Br)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OC)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1Br)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C(=O)OC)OC

InChI

InChI=1S/C19H15BrN2O6S/c1-10(23)28-16-14(20)7-11(8-15(16)26-2)6-12(9-21)17(24)22-18-13(4-5-29-18)19(25)27-3/h4-8H,1-3H3,(H,22,24)/b12-6+