[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoate

Systemtic Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoate Openeye Name: [(1R)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] (E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-ethoxy-4-methoxyphenyl)-2-propenoic acid [(2R)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] (E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)acrylic acid [(1R)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)OC(C)C(=O)NC2=C(C=CS2)C#N)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)O[C@H](C)C(=O)NC2=C(C=CS2)C#N)OC

InChI

InChI=1S/C20H20N2O5S/c1-4-26-17-11-14(5-7-16(17)25-3)6-8-18(23)27-13(2)19(24)22-20-15(12-21)9-10-28-20/h5-11,13H,4H2,1-3H3,(H,22,24)/b8-6+/t13-/m1/s1