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

Systemtic Name: S-[2,5-bis(oxidanylidene)-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate Openeye Name: S-[2,5-dioxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[2,5-dioxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl] ester IUPAC Name: S-[2,5-dioxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[2,5-diketo-1-(4-phenoxybenzyl)pyrrolidin-3-yl] ester Formula: C19H17NO4S MolecularWeight: 355.40758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(=O)N(C1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(=O)SC1CC(=O)N(C1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C19H17NO4S/c1-13(21)25-17-11-18(22)20(19(17)23)12-14-7-9-16(10-8-14)24-15-5-3-2-4-6-15/h2-10,17H,11-12H2,1H3