ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethoxyphenyl)carbonylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethoxyphenyl)carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethoxybenzoyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[[(4-ethoxyphenyl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethoxybenzoyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 2-[(4-ethoxybenzoyl)amino]-4-methyl-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H25NO6S MolecularWeight: 467.5341

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)CC3=CC4=C(C=C3)OCO4)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)CC3=CC4=C(C=C3)OCO4)C)C(=O)OCC

InChI

InChI=1S/C25H25NO6S/c1-4-29-18-9-7-17(8-10-18)23(27)26-24-22(25(28)30-5-2)15(3)21(33-24)13-16-6-11-19-20(12-16)32-14-31-19/h6-12H,4-5,13-14H2,1-3H3,(H,26,27)