ethyl (2S)-2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-2-phenyl-ethanoate

Systemtic Name: ethyl (2S)-2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-2-phenyl-acetate CAS Name: (2S)-2-[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-2-phenylacetate Traditional Name: (2S)-2-[(7-chloro-3-isopropyl-4-keto-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:

CCOC(=O)C(C1=CC=CC=C1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C(C)C

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C(C)C

InChI

InChI=1S/C21H21ClN2O3S/c1-4-27-20(26)18(14-8-6-5-7-9-14)28-21-23-17-12-15(22)10-11-16(17)19(25)24(21)13(2)3/h5-13,18H,4H2,1-3H3/t18-/m0/s1