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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[2-[(phenylmethyl)amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(benzylamino)acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[1-oxo-2-[(phenylmethyl)amino]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(benzylamino)acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(benzylamino)acetyl]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)CNCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)CNCC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O5S/c1-3-30-25(29)23-16(2)21(12-18-9-10-19-20(11-18)32-15-31-19)33-24(23)27-22(28)14-26-13-17-7-5-4-6-8-17/h4-11,26H,3,12-15H2,1-2H3,(H,27,28)