ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(2,5-dimethylphenyl)amino]ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(2,5-dimethylphenyl)amino]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2,5-dimethylanilino)acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2,5-dimethylanilino)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2,5-dimethylanilino)acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(2,5-dimethylanilino)acetyl]amino]-4-methyl-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)CNC4=C(C=CC(=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)CNC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C26H28N2O5S/c1-5-31-26(30)24-17(4)22(12-18-8-9-20-21(11-18)33-14-32-20)34-25(24)28-23(29)13-27-19-10-15(2)6-7-16(19)3/h6-11,27H,5,12-14H2,1-4H3,(H,28,29)