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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(4-methoxy-3-propoxy-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(4-methoxy-3-propoxy-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(4-methoxy-3-propoxyphenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(4-methoxy-3-propoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(4-methoxy-3-propoxy-phenyl)acryloyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OC)OC

Isomeric SMILES

CCCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C(=O)OC)OC

InChI

InChI=1S/C20H20N2O5S/c1-4-8-27-17-11-13(5-6-16(17)25-2)10-14(12-21)18(23)22-19-15(7-9-28-19)20(24)26-3/h5-7,9-11H,4,8H2,1-3H3,(H,22,23)/b14-10+