S-[(3S)-3-cyano-3-(6,8-dimethyl-4-oxidanylidene-1H-quinazolin-2-yl)-2-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[(3S)-3-cyano-3-(6,8-dimethyl-4-oxidanylidene-1H-quinazolin-2-yl)-2-oxidanylidene-propyl] ethanethioate Openeye Name: S-[(3S)-3-cyano-3-(6,8-dimethyl-4-oxo-1H-quinazolin-2-yl)-2-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[(3S)-3-cyano-3-(6,8-dimethyl-4-oxo-1H-quinazolin-2-yl)-2-oxopropyl] ester IUPAC Name: S-[(3S)-3-cyano-3-(6,8-dimethyl-4-oxo-1H-quinazolin-2-yl)-2-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[(3S)-3-cyano-2-keto-3-(4-keto-6,8-dimethyl-1H-quinazolin-2-yl)propyl] ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)N=C(N2)C(C#N)C(=O)CSC(=O)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)N=C(N2)[C@H](C#N)C(=O)CSC(=O)C)C

InChI

InChI=1S/C16H15N3O3S/c1-8-4-9(2)14-11(5-8)16(22)19-15(18-14)12(6-17)13(21)7-23-10(3)20/h4-5,12H,7H2,1-3H3,(H,18,19,22)/t12-/m1/s1