methyl 2-[[(E)-3-(5-bromanyl-2-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(5-bromanyl-2-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(5-bromo-2-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(5-bromo-2-ethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(5-bromo-2-ethoxyphenyl)-2-cyanoprop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(5-bromo-2-ethoxy-phenyl)-2-cyano-acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid methyl ester Formula: C21H21BrN2O4S MolecularWeight: 477.37144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NC2=C(C=C(S2)C(C)C)C(=O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)NC2=C(C=C(S2)C(C)C)C(=O)OC

InChI

InChI=1S/C21H21BrN2O4S/c1-5-28-17-7-6-15(22)9-13(17)8-14(11-23)19(25)24-20-16(21(26)27-4)10-18(29-20)12(2)3/h6-10,12H,5H2,1-4H3,(H,24,25)/b14-8+