methyl 3-[2-[(2S)-2-cyanopropyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[(2S)-2-cyanopropyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[(2S)-2-cyanopropyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[(2S)-2-cyanopropyl]thio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(2S)-2-cyanopropyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[[(2S)-2-cyanopropyl]thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC)C#N

Isomeric SMILES

C[C@H](CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC)C#N

InChI

InChI=1S/C16H17N3O3S/c1-11(9-17)10-23-16-18-13-6-4-3-5-12(13)15(21)19(16)8-7-14(20)22-2/h3-6,11H,7-8,10H2,1-2H3/t11-/m0/s1