phenacyl 2-[1-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoate

Systemtic Name: phenacyl 2-[1-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoate Openeye Name: phenacyl 2-(1-methyl-2,5-dioxo-pyrrolidin-3-yl)sulfanylbenzoate CAS Name: 2-[(1-methyl-2,5-dioxo-3-pyrrolidinyl)thio]benzoic acid phenacyl ester IUPAC Name: phenacyl 2-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylbenzoate Traditional Name: 2-[(2,5-diketo-1-methyl-pyrrolidin-3-yl)thio]benzoic acid phenacyl ester Formula: C20H17NO5S MolecularWeight: 383.41768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(C1=O)SC2=CC=CC=C2C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=O)CC(C1=O)SC2=CC=CC=C2C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H17NO5S/c1-21-18(23)11-17(19(21)24)27-16-10-6-5-9-14(16)20(25)26-12-15(22)13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3