S-[(3R)-3-cyano-3-(6-fluoranyl-4-oxidanylidene-1H-quinazolin-2-yl)-2-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[(3R)-3-cyano-3-(6-fluoranyl-4-oxidanylidene-1H-quinazolin-2-yl)-2-oxidanylidene-propyl] ethanethioate Openeye Name: S-[(3R)-3-cyano-3-(6-fluoro-4-oxo-1H-quinazolin-2-yl)-2-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[(3R)-3-cyano-3-(6-fluoro-4-oxo-1H-quinazolin-2-yl)-2-oxopropyl] ester IUPAC Name: S-[(3R)-3-cyano-3-(6-fluoro-4-oxo-1H-quinazolin-2-yl)-2-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[(3R)-3-cyano-3-(6-fluoro-4-keto-1H-quinazolin-2-yl)-2-keto-propyl] ester Formula: C14H10FN3O3S MolecularWeight: 319.310903

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C(C#N)C1=NC(=O)C2=C(N1)C=CC(=C2)F

Isomeric SMILES

CC(=O)SCC(=O)[C@H](C#N)C1=NC(=O)C2=C(N1)C=CC(=C2)F

InChI

InChI=1S/C14H10FN3O3S/c1-7(19)22-6-12(20)10(5-16)13-17-11-3-2-8(15)4-9(11)14(21)18-13/h2-4,10H,6H2,1H3,(H,17,18,21)/t10-/m0/s1