ethyl (2R)-2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-2-phenyl-ethanoate

Systemtic Name: ethyl (2R)-2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl (2R)-2-(7-chloro-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-2-phenyl-acetate CAS Name: (2R)-2-[(7-chloro-4-oxo-3-propyl-2-quinazolinyl)thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-2-phenylacetate Traditional Name: (2R)-2-[(7-chloro-4-keto-3-propyl-quinazolin-2-yl)thio]-2-phenyl-acetic acid ethyl ester Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1S[C@H](C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H21ClN2O3S/c1-3-12-24-19(25)16-11-10-15(22)13-17(16)23-21(24)28-18(20(26)27-4-2)14-8-6-5-7-9-14/h5-11,13,18H,3-4,12H2,1-2H3/t18-/m1/s1