methyl 3-[2-[(1R)-1-cyanoethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[(1R)-1-cyanoethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[(1R)-1-cyanoethyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[(1R)-1-cyanoethyl]thio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(1R)-1-cyanoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[[(1R)-1-cyanoethyl]thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC

Isomeric SMILES

C[C@H](C#N)SC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC

InChI

InChI=1S/C15H15N3O3S/c1-10(9-16)22-15-17-12-6-4-3-5-11(12)14(20)18(15)8-7-13(19)21-2/h3-6,10H,7-8H2,1-2H3/t10-/m1/s1