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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-1-oxoprop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-[3-ethoxy-4-(3-fluorobenzyl)oxy-phenyl]acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid methyl ester Formula: C28H27FN2O5S MolecularWeight: 522.587783

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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)OCC3=CC(=CC=C3)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(S2)C(C)C)C(=O)OC)OCC3=CC(=CC=C3)F

InChI

InChI=1S/C28H27FN2O5S/c1-5-35-24-13-18(9-10-23(24)36-16-19-7-6-8-21(29)12-19)11-20(15-30)26(32)31-27-22(28(33)34-4)14-25(37-27)17(2)3/h6-14,17H,5,16H2,1-4H3,(H,31,32)/b20-11+