ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(3-phenylsulfanylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(3-phenylsulfanylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(3-phenylsulfanylpropanoylamino)thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[1-oxo-3-(phenylthio)propyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(3-phenylsulfanylpropanoylamino)thiophene-3-carboxylate Traditional Name: 4-methyl-2-[3-(phenylthio)propanoylamino]-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H25NO5S2 MolecularWeight: 483.5997

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)CCSC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C25H25NO5S2/c1-3-29-25(28)23-16(2)21(14-17-9-10-19-20(13-17)31-15-30-19)33-24(23)26-22(27)11-12-32-18-7-5-4-6-8-18/h4-10,13H,3,11-12,14-15H2,1-2H3,(H,26,27)