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

Systemtic Name: methyl (2S)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-2-phenyl-ethanoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3S/c1-3-13-22-18(23)15-11-7-8-12-16(15)21-20(22)26-17(19(24)25-2)14-9-5-4-6-10-14/h3-12,17H,1,13H2,2H3/t17-/m0/s1