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

Systemtic Name: ethyl (2S)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-2-phenyl-acetate CAS Name: (2S)-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-2-phenylacetate Traditional Name: (2S)-2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]-2-phenyl-acetic acid ethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-4-26-20(25)18(15-10-6-5-7-11-15)27-21-22-17-13-9-8-12-16(17)19(24)23(21)14(2)3/h5-14,18H,4H2,1-3H3/t18-/m0/s1