ethyl 4-[3-[4-[(2-methylimidazol-1-yl)methyl]phenyl]sulfanylphenyl]oxane-4-carboxylate

Systemtic Name: ethyl 4-[3-[4-[(2-methylimidazol-1-yl)methyl]phenyl]sulfanylphenyl]oxane-4-carboxylate Openeye Name: ethyl 4-[3-[4-[(2-methylimidazol-1-yl)methyl]phenyl]sulfanylphenyl]tetrahydropyran-4-carboxylate CAS Name: 4-[3-[[4-[(2-methyl-1-imidazolyl)methyl]phenyl]thio]phenyl]-4-oxanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[4-[(2-methylimidazol-1-yl)methyl]phenyl]sulfanylphenyl]oxane-4-carboxylate Traditional Name: 4-[3-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]thio]phenyl]tetrahydropyran-4-carboxylic acid ethyl ester Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCOCC1)C2=CC(=CC=C2)SC3=CC=C(C=C3)CN4C=CN=C4C

Isomeric SMILES

CCOC(=O)C1(CCOCC1)C2=CC(=CC=C2)SC3=CC=C(C=C3)CN4C=CN=C4C

InChI

InChI=1S/C25H28N2O3S/c1-3-30-24(28)25(11-15-29-16-12-25)21-5-4-6-23(17-21)31-22-9-7-20(8-10-22)18-27-14-13-26-19(27)2/h4-10,13-14,17H,3,11-12,15-16,18H2,1-2H3