[(1S,2S)-2-ethoxy-1-(4-methoxy-3-oxidanyl-phenyl)-4-oxidanyl-butyl] N-(4-methylsulfanylphenyl)carbamate

Systemtic Name: [(1S,2S)-2-ethoxy-1-(4-methoxy-3-oxidanyl-phenyl)-4-oxidanyl-butyl] N-(4-methylsulfanylphenyl)carbamate Openeye Name: [(1S,2S)-2-ethoxy-4-hydroxy-1-(3-hydroxy-4-methoxy-phenyl)butyl] N-(4-methylsulfanylphenyl)carbamate CAS Name: N-[4-(methylthio)phenyl]carbamic acid [(1S,2S)-2-ethoxy-4-hydroxy-1-(3-hydroxy-4-methoxyphenyl)butyl] ester IUPAC Name: [(1S,2S)-2-ethoxy-4-hydroxy-1-(3-hydroxy-4-methoxyphenyl)butyl] N-(4-methylsulfanylphenyl)carbamate Traditional Name: N-[4-(methylthio)phenyl]carbamic acid [(1S,2S)-2-ethoxy-4-hydroxy-1-(3-hydroxy-4-methoxy-phenyl)butyl] ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCO)C(C1=CC(=C(C=C1)OC)O)OC(=O)NC2=CC=C(C=C2)SC

Isomeric SMILES

CCO[C@@H](CCO)[C@H](C1=CC(=C(C=C1)OC)O)OC(=O)NC2=CC=C(C=C2)SC

InChI

InChI=1S/C21H27NO6S/c1-4-27-19(11-12-23)20(14-5-10-18(26-2)17(24)13-14)28-21(25)22-15-6-8-16(29-3)9-7-15/h5-10,13,19-20,23-24H,4,11-12H2,1-3H3,(H,22,25)/t19-,20-/m0/s1