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

Systemtic Name: ethyl 4-[2,5-bis(oxidanylidene)-3-(4-phenylquinazolin-2-yl)sulfanyl-pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[2,5-dioxo-3-(4-phenylquinazolin-2-yl)sulfanyl-pyrrolidin-1-yl]benzoate CAS Name: 4-[2,5-dioxo-3-[(4-phenyl-2-quinazolinyl)thio]-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2,5-dioxo-3-(4-phenylquinazolin-2-yl)sulfanylpyrrolidin-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-[(4-phenylquinazolin-2-yl)thio]pyrrolidino]benzoic acid ethyl ester Formula: C27H21N3O4S MolecularWeight: 483.53834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C27H21N3O4S/c1-2-34-26(33)18-12-14-19(15-13-18)30-23(31)16-22(25(30)32)35-27-28-21-11-7-6-10-20(21)24(29-27)17-8-4-3-5-9-17/h3-15,22H,2,16H2,1H3