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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enoyl]amino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(4-benzyloxy-3-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(3-methoxy-4-phenylmethoxyphenyl)-1-oxoprop-2-enyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-benzoxy-3-methoxy-phenyl)-2-cyano-acryloyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)C#N)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)/C(=C/C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)/C#N)C(=O)OC

InChI

InChI=1S/C25H22N2O5S/c1-16-11-20(25(29)31-3)24(33-16)27-23(28)19(14-26)12-18-9-10-21(22(13-18)30-2)32-15-17-7-5-4-6-8-17/h4-13H,15H2,1-3H3,(H,27,28)/b19-12+