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

Systemtic Name: methyl 2-[[(E)-3-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(3-bromo-5-ethoxy-4-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(3-bromo-5-ethoxy-4-methoxy-phenyl)-2-cyano-acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid methyl ester Formula: C22H23BrN2O5S MolecularWeight: 507.39742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2O5S/c1-6-30-17-9-13(8-16(23)19(17)28-4)7-14(11-24)20(26)25-21-15(22(27)29-5)10-18(31-21)12(2)3/h7-10,12H,6H2,1-5H3,(H,25,26)/b14-7+