4-ethyl-6-[[4-(quinolin-2-ylmethoxy)phenyl]sulfanylmethyl]-1,3-benzoxazole-2-carboxylic acid

Systemtic Name: 4-ethyl-6-[[4-(quinolin-2-ylmethoxy)phenyl]sulfanylmethyl]-1,3-benzoxazole-2-carboxylic acid Openeye Name: 4-ethyl-6-[[4-(2-quinolylmethoxy)phenyl]sulfanylmethyl]-1,3-benzoxazole-2-carboxylic acid CAS Name: 4-ethyl-6-[[[4-(2-quinolinylmethoxy)phenyl]thio]methyl]-1,3-benzoxazole-2-carboxylic acid IUPAC Name: 4-ethyl-6-[[4-(quinolin-2-ylmethoxy)phenyl]sulfanylmethyl]-1,3-benzoxazole-2-carboxylic acid Traditional Name: 4-ethyl-6-[[[4-(2-quinolylmethoxy)phenyl]thio]methyl]-1,3-benzoxazole-2-carboxylic acid Formula: C27H22N2O4S MolecularWeight: 470.53958

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)CSC3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)OC(=N2)C(=O)O

Isomeric SMILES

CCC1=C2C(=CC(=C1)CSC3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)OC(=N2)C(=O)O

InChI

InChI=1S/C27H22N2O4S/c1-2-18-13-17(14-24-25(18)29-26(33-24)27(30)31)16-34-22-11-9-21(10-12-22)32-15-20-8-7-19-5-3-4-6-23(19)28-20/h3-14H,2,15-16H2,1H3,(H,30,31)