[2-oxidanylidene-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] (E)-3-thiophen-2-ylprop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] (E)-3-thiophen-2-ylprop-2-enoate Openeye Name: [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] (E)-3-(2-thienyl)prop-2-enoate CAS Name: (E)-3-thiophen-2-yl-2-propenoic acid [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] (E)-3-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-(2-thienyl)acrylic acid [2-keto-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCCNC(=O)COC(=O)C=CC2=CC=CS2)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCCNC(=O)COC(=O)/C=C/C2=CC=CS2)C)C

InChI

InChI=1S/C21H25NO4S/c1-15-12-16(2)17(3)19(13-15)25-10-5-9-22-20(23)14-26-21(24)8-7-18-6-4-11-27-18/h4,6-8,11-13H,5,9-10,14H2,1-3H3,(H,22,23)/b8-7+