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

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-butoxyphenyl)carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-butoxybenzoyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[[(4-butoxyphenyl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-butoxybenzoyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 2-[(4-butoxybenzoyl)amino]-4-methyl-5-piperonyl-thiophene-3-carboxylic acid methyl ester Formula: C26H27NO6S MolecularWeight: 481.56068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)CC3=CC4=C(C=C3)OCO4)C)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)CC3=CC4=C(C=C3)OCO4)C)C(=O)OC

InChI

InChI=1S/C26H27NO6S/c1-4-5-12-31-19-9-7-18(8-10-19)24(28)27-25-23(26(29)30-3)16(2)22(34-25)14-17-6-11-20-21(13-17)33-15-32-20/h6-11,13H,4-5,12,14-15H2,1-3H3,(H,27,28)