ethyl (2S)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-2-phenyl-ethanoate

Systemtic Name: ethyl (2S)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-2-phenyl-acetate CAS Name: (2S)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-2-phenylacetate Traditional Name: (2S)-2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-2-phenyl-acetic acid ethyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S/c1-3-14-23-19(24)16-12-8-9-13-17(16)22-21(23)27-18(20(25)26-4-2)15-10-6-5-7-11-15/h3,5-13,18H,1,4,14H2,2H3/t18-/m0/s1