ethyl (2S)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-phenyl-ethanoate

Systemtic Name: ethyl (2S)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-2-phenyl-acetate CAS Name: (2S)-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetate Traditional Name: (2S)-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]-2-phenyl-acetic acid ethyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC(C)C

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

InChI=1S/C22H24N2O3S/c1-4-27-21(26)19(16-10-6-5-7-11-16)28-22-23-18-13-9-8-12-17(18)20(25)24(22)14-15(2)3/h5-13,15,19H,4,14H2,1-3H3/t19-/m0/s1