2-methylpropyl 4-[3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: 2-methylpropyl 4-[3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-oxidanyl-propoxy]benzoate Openeye Name: isobutyl 4-[3-(4,5-diphenyloxazol-2-yl)sulfanyl-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[(4,5-diphenyl-2-oxazolyl)thio]-2-hydroxypropoxy]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[(4,5-diphenyloxazol-2-yl)thio]-2-hydroxy-propoxy]benzoic acid isobutyl ester Formula: C29H29NO5S MolecularWeight: 503.60926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)OCC(CSC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)OCC(CSC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C29H29NO5S/c1-20(2)17-34-28(32)23-13-15-25(16-14-23)33-18-24(31)19-36-29-30-26(21-9-5-3-6-10-21)27(35-29)22-11-7-4-8-12-22/h3-16,20,24,31H,17-19H2,1-2H3