ethyl 6-[[4-(quinolin-2-ylmethoxy)phenyl]sulfinylmethyl]-1,3-benzoxazole-2-carboxylate

Systemtic Name: ethyl 6-[[4-(quinolin-2-ylmethoxy)phenyl]sulfinylmethyl]-1,3-benzoxazole-2-carboxylate Openeye Name: ethyl 6-[[4-(2-quinolylmethoxy)phenyl]sulfinylmethyl]-1,3-benzoxazole-2-carboxylate CAS Name: 6-[[4-(2-quinolinylmethoxy)phenyl]sulfinylmethyl]-1,3-benzoxazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(quinolin-2-ylmethoxy)phenyl]sulfinylmethyl]-1,3-benzoxazole-2-carboxylate Traditional Name: 6-[[4-(2-quinolylmethoxy)phenyl]sulfinylmethyl]-1,3-benzoxazole-2-carboxylic acid ethyl ester Formula: C27H22N2O5S MolecularWeight: 486.53898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C(O1)C=C(C=C2)CS(=O)C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CCOC(=O)C1=NC2=C(O1)C=C(C=C2)CS(=O)C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H22N2O5S/c1-2-32-27(30)26-29-24-14-7-18(15-25(24)34-26)17-35(31)22-12-10-21(11-13-22)33-16-20-9-8-19-5-3-4-6-23(19)28-20/h3-15H,2,16-17H2,1H3