ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-(furan-2-ylcarbonylamino)-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-(furan-2-ylcarbonylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-(furan-2-carbonylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-furanyl(oxo)methyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate Traditional Name: 2-(2-furoylamino)-4-methyl-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C21H19NO6S/c1-3-25-21(24)18-12(2)17(10-13-6-7-14-16(9-13)28-11-27-14)29-20(18)22-19(23)15-5-4-8-26-15/h4-9H,3,10-11H2,1-2H3,(H,22,23)