methylsulfinylmethyl 2-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethanoate

Systemtic Name: methylsulfinylmethyl 2-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethanoate Openeye Name: methylsulfinylmethyl 2-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]acetate CAS Name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetic acid methylsulfinylmethyl ester IUPAC Name: methylsulfinylmethyl 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetate Traditional Name: 2-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]acetic acid methylsulfinylmethyl ester Formula: C16H25NO5S MolecularWeight: 343.4384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=C(C=C1)CC(=O)OCS(=O)C)O

Isomeric SMILES

CC(C)NCC(COC1=CC=C(C=C1)CC(=O)OCS(=O)C)O

InChI

InChI=1S/C16H25NO5S/c1-12(2)17-9-14(18)10-21-15-6-4-13(5-7-15)8-16(19)22-11-23(3)20/h4-7,12,14,17-18H,8-11H2,1-3H3