phenacyl 4-[3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: phenacyl 4-[3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: phenacyl 4-[3-(2-ethoxy-2-oxo-ethyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(2-ethoxy-2-oxoethyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[3-(2-ethoxy-2-oxoethyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(2-ethoxy-2-keto-ethyl)thio]-2,5-diketo-pyrrolidino]benzoic acid phenacyl ester Formula: C23H21NO7S MolecularWeight: 455.48034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSC1CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H21NO7S/c1-2-30-21(27)14-32-19-12-20(26)24(22(19)28)17-10-8-16(9-11-17)23(29)31-13-18(25)15-6-4-3-5-7-15/h3-11,19H,2,12-14H2,1H3