ethyl 2-[2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxyethanoylamino]-5-ethyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxyethanoylamino]-5-ethyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxyacetyl]amino]-5-ethyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]-5-ethyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxyacetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]oxyacetyl]amino]-5-ethyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H23NO7S MolecularWeight: 445.48552

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)COC(=O)C=CC2=CC3=C(C=C2)OCO3)C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)COC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C(=O)OCC)C

InChI

InChI=1S/C22H23NO7S/c1-4-17-13(3)20(22(26)27-5-2)21(31-17)23-18(24)11-28-19(25)9-7-14-6-8-15-16(10-14)30-12-29-15/h6-10H,4-5,11-12H2,1-3H3,(H,23,24)/b9-7+