dimethyl 5-[2-[3-(1,3-benzodioxol-5-yl)prop-2-enoyloxy]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[2-[3-(1,3-benzodioxol-5-yl)prop-2-enoyloxy]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-[3-(1,3-benzodioxol-5-yl)prop-2-enoyloxy]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[3-(1,3-benzodioxol-5-yl)prop-2-enoyloxy]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[3-(1,3-benzodioxol-5-yl)acryloyl]oxyacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H19NO9S MolecularWeight: 461.44186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C=CC2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C=CC2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C21H19NO9S/c1-11-17(20(25)27-2)19(32-18(11)21(26)28-3)22-15(23)9-29-16(24)7-5-12-4-6-13-14(8-12)31-10-30-13/h4-8H,9-10H2,1-3H3,(H,22,23)