S-[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]-2-(pyridin-4-ylmethylcarbamoyl)pyrrolidin-3-yl] ethanethioate

Systemtic Name: S-[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]-2-(pyridin-4-ylmethylcarbamoyl)pyrrolidin-3-yl] ethanethioate Openeye Name: S-[5-oxo-1-[(4-phenoxyphenyl)methyl]-2-(4-pyridylmethylcarbamoyl)pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[5-oxo-2-[oxo-(pyridin-4-ylmethylamino)methyl]-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl] ester IUPAC Name: S-[5-oxo-1-[(4-phenoxyphenyl)methyl]-2-(pyridin-4-ylmethylcarbamoyl)pyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[5-keto-1-(4-phenoxybenzyl)-2-(4-pyridylmethylcarbamoyl)pyrrolidin-3-yl] ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(=O)N(C1C(=O)NCC2=CC=NC=C2)CC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(=O)SC1CC(=O)N(C1C(=O)NCC2=CC=NC=C2)CC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O4S/c1-18(30)34-23-15-24(31)29(25(23)26(32)28-16-19-11-13-27-14-12-19)17-20-7-9-22(10-8-20)33-21-5-3-2-4-6-21/h2-14,23,25H,15-17H2,1H3,(H,28,32)