methyl 2-[[(E)-2-cyano-3-[2-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-[2-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-[2-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1-oxoprop-2-enyl]amino]-5-propyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoyl]amino]-5-propylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-[2-(2-fluorobenzyl)oxy-3-methoxy-phenyl]acryloyl]amino]-5-propyl-thiophene-3-carboxylic acid methyl ester Formula: C27H25FN2O5S MolecularWeight: 508.561203

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)NC(=O)C(=CC2=C(C(=CC=C2)OC)OCC3=CC=CC=C3F)C#N)C(=O)OC

Isomeric SMILES

CCCC1=CC(=C(S1)NC(=O)/C(=C/C2=C(C(=CC=C2)OC)OCC3=CC=CC=C3F)/C#N)C(=O)OC

InChI

InChI=1S/C27H25FN2O5S/c1-4-8-20-14-21(27(32)34-3)26(36-20)30-25(31)19(15-29)13-17-10-7-12-23(33-2)24(17)35-16-18-9-5-6-11-22(18)28/h5-7,9-14H,4,8,16H2,1-3H3,(H,30,31)/b19-13+