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

Systemtic Name: phenacyl 4-[3-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: phenacyl 4-[3-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(3-ethyl-4-keto-quinazolin-2-yl)thio]-2,5-diketo-pyrrolidino]benzoic acid phenacyl ester Formula: C29H23N3O6S MolecularWeight: 541.57442

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SC3CC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OCC(=O)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SC3CC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H23N3O6S/c1-2-31-26(35)21-10-6-7-11-22(21)30-29(31)39-24-16-25(34)32(27(24)36)20-14-12-19(13-15-20)28(37)38-17-23(33)18-8-4-3-5-9-18/h3-15,24H,2,16-17H2,1H3