ethyl 2-[[(E)-2-cyano-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enoyl]amino]thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)C(=CC2=CC(=C(C=C2)OC)COC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)OC)COC3=CC=CC=C3)/C#N

InChI

InChI=1S/C25H22N2O5S/c1-3-31-25(29)21-11-12-33-24(21)27-23(28)18(15-26)13-17-9-10-22(30-2)19(14-17)16-32-20-7-5-4-6-8-20/h4-14H,3,16H2,1-2H3,(H,27,28)/b18-13+