[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxidanylidene-propan-2-yl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate

Systemtic Name: [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxidanylidene-propan-2-yl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate Openeye Name: [2-[5-(acetamidomethyl)-2-thienyl]-1-methyl-2-oxo-ethyl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-butoxy-3-ethoxyphenyl)-2-propenoic acid [1-[5-(acetamidomethyl)-2-thiophenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] (E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)acrylic acid [2-[5-(acetamidomethyl)-2-thienyl]-2-keto-1-methyl-ethyl] ester Formula: C25H31NO6S MolecularWeight: 473.58174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)OC(C)C(=O)C2=CC=C(S2)CNC(=O)C)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)OC(C)C(=O)C2=CC=C(S2)CNC(=O)C)OCC

InChI

InChI=1S/C25H31NO6S/c1-5-7-14-31-21-11-8-19(15-22(21)30-6-2)9-13-24(28)32-17(3)25(29)23-12-10-20(33-23)16-26-18(4)27/h8-13,15,17H,5-7,14,16H2,1-4H3,(H,26,27)/b13-9+