S-[(3R)-3-cyano-3-(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)-2-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[(3R)-3-cyano-3-(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)-2-oxidanylidene-propyl] ethanethioate Openeye Name: S-[(3R)-3-cyano-3-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)-2-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[(3R)-3-cyano-3-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)-2-oxopropyl] ester IUPAC Name: S-[(3R)-3-cyano-3-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)-2-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[(3R)-3-cyano-2-keto-3-(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)propyl] ester Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C(C#N)C1=NC(=O)C2=CC(=C(C=C2N1)OC)OC

Isomeric SMILES

CC(=O)SCC(=O)[C@H](C#N)C1=NC(=O)C2=CC(=C(C=C2N1)OC)OC

InChI

InChI=1S/C16H15N3O5S/c1-8(20)25-7-12(21)10(6-17)15-18-11-5-14(24-3)13(23-2)4-9(11)16(22)19-15/h4-5,10H,7H2,1-3H3,(H,18,19,22)/t10-/m0/s1