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

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]sulfanylethanoate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetate CAS Name: 2-[[(3S)-1,1-dioxo-3-thiolanyl]thio]acetic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetate Traditional Name: 2-[[(3S)-1,1-diketothiolan-3-yl]thio]acetic acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C16H18N2O5S2 MolecularWeight: 382.45452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)CSC3CCS(=O)(=O)C3

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)CS[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C16H18N2O5S2/c1-10-3-2-4-12-15(10)17-13(18-16(12)20)7-23-14(19)8-24-11-5-6-25(21,22)9-11/h2-4,11H,5-9H2,1H3,(H,17,18,20)/t11-/m0/s1