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

Systemtic Name: S-[[2,5-bis(oxidanylidene)-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]methyl] ethanethioate Openeye Name: S-[[2,5-dioxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[2,5-dioxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl]methyl] ester IUPAC Name: S-[[2,5-dioxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[2,5-diketo-1-(4-phenoxybenzyl)pyrrolidin-3-yl]methyl] ester Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1CC(=O)N(C1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(=O)SCC1CC(=O)N(C1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H19NO4S/c1-14(22)26-13-16-11-19(23)21(20(16)24)12-15-7-9-18(10-8-15)25-17-5-3-2-4-6-17/h2-10,16H,11-13H2,1H3