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

Systemtic Name: ethyl 4-[3-[4-(2-methylimidazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carboxylate Openeye Name: ethyl 4-[3-[4-(2-methylimidazol-1-yl)phenyl]sulfanylphenyl]tetrahydropyran-4-carboxylate CAS Name: 4-[3-[[4-(2-methyl-1-imidazolyl)phenyl]thio]phenyl]-4-oxanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[4-(2-methylimidazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carboxylate Traditional Name: 4-[3-[[4-(2-methylimidazol-1-yl)phenyl]thio]phenyl]tetrahydropyran-4-carboxylic acid ethyl ester Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCOCC1)C2=CC(=CC=C2)SC3=CC=C(C=C3)N4C=CN=C4C

Isomeric SMILES

CCOC(=O)C1(CCOCC1)C2=CC(=CC=C2)SC3=CC=C(C=C3)N4C=CN=C4C

InChI

InChI=1S/C24H26N2O3S/c1-3-29-23(27)24(11-15-28-16-12-24)19-5-4-6-22(17-19)30-21-9-7-20(8-10-21)26-14-13-25-18(26)2/h4-10,13-14,17H,3,11-12,15-16H2,1-2H3