ethyl (2S)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-2-phenyl-ethanoate

Systemtic Name: ethyl (2S)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-2-phenyl-acetate CAS Name: (2S)-2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-2-phenylacetate Traditional Name: (2S)-2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-2-phenyl-acetic acid ethyl ester Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H19ClN2O3S/c1-3-12-24-19(25)16-13-15(22)10-11-17(16)23-21(24)28-18(20(26)27-4-2)14-8-6-5-7-9-14/h3,5-11,13,18H,1,4,12H2,2H3/t18-/m0/s1