[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl] 2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoate

Systemtic Name: [(3S)-1,1-bis(oxidanylidene)thiolan-3-yl] 2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoate Openeye Name: [(3S)-1,1-dioxothiolan-3-yl] 2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]acetic acid [(3S)-1,1-dioxo-3-thiolanyl] ester IUPAC Name: [(3S)-1,1-dioxothiolan-3-yl] 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]acetic acid [(3S)-1,1-diketothiolan-3-yl] ester Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)OC4CCS(=O)(=O)C4

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1OC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C17H18N2O5S2/c20-15(24-12-7-8-26(22,23)10-12)9-25-17-18-14-4-2-1-3-13(14)16(21)19(17)11-5-6-11/h1-4,11-12H,5-10H2/t12-/m0/s1