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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N(C1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3)SC(=O)C

Isomeric SMILES

CC1C(C(=O)N(C1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3)SC(=O)C

InChI

InChI=1S/C20H19NO4S/c1-13-18(26-14(2)22)20(24)21(19(13)23)12-15-8-10-17(11-9-15)25-16-6-4-3-5-7-16/h3-11,13,18H,12H2,1-2H3