ethyl 2-[2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]oxyethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]oxyethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]oxyacetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]oxyacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(E)-3-(4-fluorophenyl)acryloyl]oxyacetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H24FNO5S MolecularWeight: 445.503763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC(=O)/C=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C23H24FNO5S/c1-3-29-23(28)21-17-10-4-14(2)12-18(17)31-22(21)25-19(26)13-30-20(27)11-7-15-5-8-16(24)9-6-15/h5-9,11,14H,3-4,10,12-13H2,1-2H3,(H,25,26)/b11-7+