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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(CCO1)C(=O)OC2=CC(=CC=C2)SC3=CC=C(C=C3)N4C=CN=C4C

Isomeric SMILES

CCC1CC(CCO1)C(=O)OC2=CC(=CC=C2)SC3=CC=C(C=C3)N4C=CN=C4C

InChI

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