ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 4-methyl-5-piperonyl-2-[[(E)-3-(2-thienyl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H21NO5S2 MolecularWeight: 455.54654

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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=CS4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C23H21NO5S2/c1-3-27-23(26)21-14(2)19(12-15-6-8-17-18(11-15)29-13-28-17)31-22(21)24-20(25)9-7-16-5-4-10-30-16/h4-11H,3,12-13H2,1-2H3,(H,24,25)/b9-7+