S-[(3R)-3-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-cyano-2-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[(3R)-3-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-cyano-2-oxidanylidene-propyl] ethanethioate Openeye Name: S-[(3R)-3-(7-chloro-4-oxo-1H-quinazolin-2-yl)-3-cyano-2-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[(3R)-3-(7-chloro-4-oxo-1H-quinazolin-2-yl)-3-cyano-2-oxopropyl] ester IUPAC Name: S-[(3R)-3-(7-chloro-4-oxo-1H-quinazolin-2-yl)-3-cyano-2-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[(3R)-3-(7-chloro-4-keto-1H-quinazolin-2-yl)-3-cyano-2-keto-propyl] ester Formula: C14H10ClN3O3S MolecularWeight: 335.7655

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10ClN3O3S/c1-7(19)22-6-12(20)10(5-16)13-17-11-4-8(15)2-3-9(11)14(21)18-13/h2-4,10H,6H2,1H3,(H,17,18,21)/t10-/m0/s1