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

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H19NO5S2 MolecularWeight: 441.51996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C=CC2=CC=CS2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)/C=C/C2=CC=CS2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H19NO5S2/c1-13-18(11-14-5-7-16-17(10-14)28-12-27-16)30-21(20(13)22(25)26-2)23-19(24)8-6-15-4-3-9-29-15/h3-10H,11-12H2,1-2H3,(H,23,24)/b8-6+