ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[3-(furan-2-yl)prop-2-enoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[3-(furan-2-yl)prop-2-enoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[3-(2-furyl)prop-2-enoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(2-furanyl)-1-oxoprop-2-enyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[3-(furan-2-yl)prop-2-enoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 2-[[3-(2-furyl)acryloyl]amino]-4-methyl-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H21NO6S MolecularWeight: 439.48094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C=CC4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C=CC4=CC=CO4

InChI

InChI=1S/C23H21NO6S/c1-3-27-23(26)21-14(2)19(12-15-6-8-17-18(11-15)30-13-29-17)31-22(21)24-20(25)9-7-16-5-4-10-28-16/h4-11H,3,12-13H2,1-2H3,(H,24,25)