methyl 3-[2-[(2R)-2,4-dicyanobutyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[(2R)-2,4-dicyanobutyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[(2R)-2,4-dicyanobutyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[(2R)-2,4-dicyanobutyl]thio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(2R)-2,4-dicyanobutyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[[(2R)-2,4-dicyanobutyl]thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC(CCC#N)C#N

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SC[C@H](CCC#N)C#N

InChI

InChI=1S/C18H18N4O3S/c1-25-16(23)8-10-22-17(24)14-6-2-3-7-15(14)21-18(22)26-12-13(11-20)5-4-9-19/h2-3,6-7,13H,4-5,8,10,12H2,1H3/t13-/m1/s1