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

Systemtic Name: ethyl 4-[2,5-bis(oxidanylidene)-3-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[3-(2-anilino-2-oxo-ethyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(2-anilino-2-oxoethyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-anilino-2-oxoethyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(2-anilino-2-keto-ethyl)thio]-2,5-diketo-pyrrolidino]benzoic acid ethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S/c1-2-28-21(27)14-8-10-16(11-9-14)23-19(25)12-17(20(23)26)29-13-18(24)22-15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3,(H,22,24)