ethyl 1-[[3-(1,3-benzodioxol-5-ylmethyl)imidazol-4-yl]methyl]-2-ethylsulfanyl-4-naphthalen-1-yl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[[3-(1,3-benzodioxol-5-ylmethyl)imidazol-4-yl]methyl]-2-ethylsulfanyl-4-naphthalen-1-yl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[[3-(1,3-benzodioxol-5-ylmethyl)imidazol-4-yl]methyl]-2-ethylsulfanyl-4-(1-naphthyl)pyrrole-3-carboxylate CAS Name: 1-[[3-(1,3-benzodioxol-5-ylmethyl)-4-imidazolyl]methyl]-2-(ethylthio)-4-(1-naphthalenyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(1,3-benzodioxol-5-ylmethyl)imidazol-4-yl]methyl]-2-ethylsulfanyl-4-naphthalen-1-ylpyrrole-3-carboxylate Traditional Name: 2-(ethylthio)-4-(1-naphthyl)-1-[(3-piperonylimidazol-4-yl)methyl]pyrrole-3-carboxylic acid ethyl ester Formula: C31H29N3O4S MolecularWeight: 539.64466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C=C1C2=CC=CC3=CC=CC=C32)CC4=CN=CN4CC5=CC6=C(C=C5)OCO6)SCC

Isomeric SMILES

CCOC(=O)C1=C(N(C=C1C2=CC=CC3=CC=CC=C32)CC4=CN=CN4CC5=CC6=C(C=C5)OCO6)SCC

InChI

InChI=1S/C31H29N3O4S/c1-3-36-31(35)29-26(25-11-7-9-22-8-5-6-10-24(22)25)18-33(30(29)39-4-2)17-23-15-32-19-34(23)16-21-12-13-27-28(14-21)38-20-37-27/h5-15,18-19H,3-4,16-17,20H2,1-2H3