ethyl 4-ethyl-2-[2-[(E)-3-(3-fluorophenyl)prop-2-enoyl]oxyethanoylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 4-ethyl-2-[2-[(E)-3-(3-fluorophenyl)prop-2-enoyl]oxyethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-2-[[2-[(E)-3-(3-fluorophenyl)prop-2-enoyl]oxyacetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[2-[(E)-3-(3-fluorophenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-2-[[2-[(E)-3-(3-fluorophenyl)prop-2-enoyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-[[2-[(E)-3-(3-fluorophenyl)acryloyl]oxyacetyl]amino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H22FNO5S MolecularWeight: 419.466483

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)C=CC2=CC(=CC=C2)F)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)F)C

InChI

InChI=1S/C21H22FNO5S/c1-4-16-13(3)29-20(19(16)21(26)27-5-2)23-17(24)12-28-18(25)10-9-14-7-6-8-15(22)11-14/h6-11H,4-5,12H2,1-3H3,(H,23,24)/b10-9+