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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-butoxyphenyl)carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H29NO6S MolecularWeight: 495.58726

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO6S/c1-4-6-13-32-20-10-8-19(9-11-20)25(29)28-26-24(27(30)31-5-2)17(3)23(35-26)15-18-7-12-21-22(14-18)34-16-33-21/h7-12,14H,4-6,13,15-16H2,1-3H3,(H,28,29)