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

Systemtic Name: ethyl 1-[2-(1,3-benzodioxol-5-yl)-1-(1H-imidazol-5-yl)ethyl]-2-ethylsulfanyl-4-naphthalen-1-yl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-(1,3-benzodioxol-5-yl)-1-(1H-imidazol-5-yl)ethyl]-2-ethylsulfanyl-4-(1-naphthyl)pyrrole-3-carboxylate CAS Name: 1-[2-(1,3-benzodioxol-5-yl)-1-(1H-imidazol-5-yl)ethyl]-2-(ethylthio)-4-(1-naphthalenyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1,3-benzodioxol-5-yl)-1-(1H-imidazol-5-yl)ethyl]-2-ethylsulfanyl-4-naphthalen-1-ylpyrrole-3-carboxylate Traditional Name: 1-[2-(1,3-benzodioxol-5-yl)-1-(1H-imidazol-5-yl)ethyl]-2-(ethylthio)-4-(1-naphthyl)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)C(CC4=CC5=C(C=C4)OCO5)C6=CN=CN6)SCC

Isomeric SMILES

CCOC(=O)C1=C(N(C=C1C2=CC=CC3=CC=CC=C32)C(CC4=CC5=C(C=C4)OCO5)C6=CN=CN6)SCC

InChI

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