ethyl 4-[2-(12-propan-2-ylsulfanyldodecanoylamino)phenoxy]butanoate

Systemtic Name: ethyl 4-[2-(12-propan-2-ylsulfanyldodecanoylamino)phenoxy]butanoate Openeye Name: ethyl 4-[2-(12-isopropylsulfanyldodecanoylamino)phenoxy]butanoate CAS Name: 4-[2-[[1-oxo-12-(propan-2-ylthio)dodecyl]amino]phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-(12-propan-2-ylsulfanyldodecanoylamino)phenoxy]butanoate Traditional Name: 4-[2-[12-(isopropylthio)dodecanoylamino]phenoxy]butyric acid ethyl ester Formula: C27H45NO4S MolecularWeight: 479.7155

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC=CC=C1NC(=O)CCCCCCCCCCCSC(C)C

Isomeric SMILES

CCOC(=O)CCCOC1=CC=CC=C1NC(=O)CCCCCCCCCCCSC(C)C

InChI

InChI=1S/C27H45NO4S/c1-4-31-27(30)20-16-21-32-25-18-14-13-17-24(25)28-26(29)19-12-10-8-6-5-7-9-11-15-22-33-23(2)3/h13-14,17-18,23H,4-12,15-16,19-22H2,1-3H3,(H,28,29)