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

Systemtic Name: methylsulfanylmethyl 2-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethanoate Openeye Name: methylsulfanylmethyl 2-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]acetate CAS Name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetic acid (methylthio)methyl ester IUPAC Name: methylsulfanylmethyl 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetate Traditional Name: 2-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]acetic acid (methylthio)methyl ester Formula: C16H25NO4S MolecularWeight: 327.439

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO4S/c1-12(2)17-9-14(18)10-20-15-6-4-13(5-7-15)8-16(19)21-11-22-3/h4-7,12,14,17-18H,8-11H2,1-3H3