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

Systemtic Name: ethyl (2S)-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-phenyl-acetate CAS Name: (2S)-2-[[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetate Traditional Name: (2S)-2-[[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]-2-phenyl-acetic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CCOC

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CCOC

InChI

InChI=1S/C21H22N2O4S/c1-3-27-20(25)18(15-9-5-4-6-10-15)28-21-22-17-12-8-7-11-16(17)19(24)23(21)13-14-26-2/h4-12,18H,3,13-14H2,1-2H3/t18-/m0/s1