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

Systemtic Name: ethyl (2S)-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-2-phenyl-acetate CAS Name: (2S)-2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-2-phenylacetate Traditional Name: (2S)-2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]-2-phenyl-acetic acid ethyl ester Formula: C23H20N2O3S MolecularWeight: 404.4815

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

InChI

InChI=1S/C23H20N2O3S/c1-3-28-22(27)20(15-9-5-4-6-10-15)29-23-24-19-14-17-12-8-7-11-16(17)13-18(19)21(26)25(23)2/h4-14,20H,3H2,1-2H3/t20-/m0/s1