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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-dimethylaminophenyl)carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(dimethylamino)benzoyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[[(4-dimethylaminophenyl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(dimethylamino)benzoyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(dimethylamino)benzoyl]amino]-4-methyl-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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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=C(C=C4)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O5S/c1-5-30-25(29)22-15(2)21(13-16-6-11-19-20(12-16)32-14-31-19)33-24(22)26-23(28)17-7-9-18(10-8-17)27(3)4/h6-12H,5,13-14H2,1-4H3,(H,26,28)