S-(methylamino) 2-[[bis(2-methoxyphenyl)-phenyl-methoxy]methyl]-4-oxidanyl-pyrrolidine-1-carbothioate

Systemtic Name: S-(methylamino) 2-[[bis(2-methoxyphenyl)-phenyl-methoxy]methyl]-4-oxidanyl-pyrrolidine-1-carbothioate Openeye Name: S-(methylamino) 2-[[bis(2-methoxyphenyl)-phenyl-methoxy]methyl]-4-hydroxy-pyrrolidine-1-carbothioate CAS Name: 2-[[bis(2-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-1-pyrrolidinecarbothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) 2-[[bis(2-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidine-1-carbothioate Traditional Name: 2-[[bis(2-methoxyphenyl)-phenyl-methoxy]methyl]-4-hydroxy-pyrrolidine-1-carbothioic acid S-(methylamino) ester Formula: C28H32N2O5S MolecularWeight: 508.62908

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Descriptors Computed from Structure

Canonical SMILES:

CNSC(=O)N1CC(CC1COC(C2=CC=CC=C2)(C3=CC=CC=C3OC)C4=CC=CC=C4OC)O

Isomeric SMILES

CNSC(=O)N1CC(CC1COC(C2=CC=CC=C2)(C3=CC=CC=C3OC)C4=CC=CC=C4OC)O

InChI

InChI=1S/C28H32N2O5S/c1-29-36-27(32)30-18-22(31)17-21(30)19-35-28(20-11-5-4-6-12-20,23-13-7-9-15-25(23)33-2)24-14-8-10-16-26(24)34-3/h4-16,21-22,29,31H,17-19H2,1-3H3