methyl 2-[(2S)-2-cyanopropyl]sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(2S)-2-cyanopropyl]sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[(2S)-2-cyanopropyl]sulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-[[(2S)-2-cyanopropyl]thio]-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2S)-2-cyanopropyl]sulfanyl-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 2-[[(2S)-2-cyanopropyl]thio]-4-keto-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCC3=CC=CC=C3)C#N

Isomeric SMILES

C[C@H](CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCC3=CC=CC=C3)C#N

InChI

InChI=1S/C22H21N3O3S/c1-15(13-23)14-29-22-24-19-12-17(21(27)28-2)8-9-18(19)20(26)25(22)11-10-16-6-4-3-5-7-16/h3-9,12,15H,10-11,14H2,1-2H3/t15-/m0/s1