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

Systemtic Name: [(3S)-1,1-bis(oxidanylidene)thiolan-3-yl] 2-(2-methylquinazolin-4-yl)sulfanylethanoate Openeye Name: [(3S)-1,1-dioxothiolan-3-yl] 2-(2-methylquinazolin-4-yl)sulfanylacetate CAS Name: 2-[(2-methyl-4-quinazolinyl)thio]acetic acid [(3S)-1,1-dioxo-3-thiolanyl] ester IUPAC Name: [(3S)-1,1-dioxothiolan-3-yl] 2-(2-methylquinazolin-4-yl)sulfanylacetate Traditional Name: 2-[(2-methylquinazolin-4-yl)thio]acetic acid [(3S)-1,1-diketothiolan-3-yl] ester Formula: C15H16N2O4S2 MolecularWeight: 352.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)OC3CCS(=O)(=O)C3

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)O[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C15H16N2O4S2/c1-10-16-13-5-3-2-4-12(13)15(17-10)22-8-14(18)21-11-6-7-23(19,20)9-11/h2-5,11H,6-9H2,1H3/t11-/m0/s1