S-[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] morpholine-4-carbothioate

Systemtic Name: S-[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] morpholine-4-carbothioate Openeye Name: S-[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] morpholine-4-carbothioate CAS Name: 4-morpholinecarbothioic acid S-[5-oxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl] ester IUPAC Name: S-[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] morpholine-4-carbothioate Traditional Name: morpholine-4-carbothioic acid S-[5-keto-1-(4-phenoxybenzyl)pyrrolidin-3-yl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)SC2CC(=O)N(C2)CC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C(=O)SC2CC(=O)N(C2)CC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H24N2O4S/c25-21-14-20(29-22(26)23-10-12-27-13-11-23)16-24(21)15-17-6-8-19(9-7-17)28-18-4-2-1-3-5-18/h1-9,20H,10-16H2