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

Systemtic Name: ethyl (2S)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-2-phenyl-acetate CAS Name: (2S)-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetate Traditional Name: (2S)-2-[(3-cyclopropyl-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)N2C4CC4

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

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