octyl 2-[(2E)-2-phenoxysulfinyl-2-[3-(phenylmethyl)-1,3-benzoxazol-2-ylidene]ethanoyl]oxypropanoate

Systemtic Name: octyl 2-[(2E)-2-phenoxysulfinyl-2-[3-(phenylmethyl)-1,3-benzoxazol-2-ylidene]ethanoyl]oxypropanoate Openeye Name: octyl 2-[(2E)-2-(3-benzyl-1,3-benzoxazol-2-ylidene)-2-phenoxysulfinyl-acetyl]oxypropanoate CAS Name: 2-[(2E)-1-oxo-2-phenoxysulfinyl-2-[3-(phenylmethyl)-1,3-benzoxazol-2-ylidene]ethoxy]propanoic acid octyl ester IUPAC Name: octyl 2-[(2E)-2-(3-benzyl-1,3-benzoxazol-2-ylidene)-2-phenoxysulfinylacetyl]oxypropanoate Traditional Name: 2-[(2E)-2-(3-benzyl-1,3-benzoxazol-2-ylidene)-2-phenoxysulfinyl-acetyl]oxypropionic acid octyl ester Formula: C33H37NO7S MolecularWeight: 591.71438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(C)OC(=O)C(=C1N(C2=CC=CC=C2O1)CC3=CC=CC=C3)S(=O)OC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCOC(=O)C(C)OC(=O)/C(=C\1/N(C2=CC=CC=C2O1)CC3=CC=CC=C3)/S(=O)OC4=CC=CC=C4

InChI

InChI=1S/C33H37NO7S/c1-3-4-5-6-7-16-23-38-32(35)25(2)39-33(36)30(42(37)41-27-19-12-9-13-20-27)31-34(24-26-17-10-8-11-18-26)28-21-14-15-22-29(28)40-31/h8-15,17-22,25H,3-7,16,23-24H2,1-2H3/b31-30+