ethyl 1-(1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl)imidazole-4-carboxylate

Systemtic Name: ethyl 1-(1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl)imidazole-4-carboxylate Openeye Name: ethyl 1-[2-hydroxy-1-(2-naphthylsulfanylmethyl)propyl]imidazole-4-carboxylate CAS Name: 1-[3-hydroxy-1-(2-naphthalenylthio)butan-2-yl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-hydroxy-1-naphthalen-2-ylsulfanylbutan-2-yl)imidazole-4-carboxylate Traditional Name: 1-[2-hydroxy-1-[(2-naphthylthio)methyl]propyl]imidazole-4-carboxylic acid ethyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C=N1)C(CSC2=CC3=CC=CC=C3C=C2)C(C)O

Isomeric SMILES

CCOC(=O)C1=CN(C=N1)C(CSC2=CC3=CC=CC=C3C=C2)C(C)O

InChI

InChI=1S/C20H22N2O3S/c1-3-25-20(24)18-11-22(13-21-18)19(14(2)23)12-26-17-9-8-15-6-4-5-7-16(15)10-17/h4-11,13-14,19,23H,3,12H2,1-2H3