cyclohexyl 2-(6-chloranyl-2-phenyl-quinazolin-4-yl)sulfanylethanoate

Systemtic Name: cyclohexyl 2-(6-chloranyl-2-phenyl-quinazolin-4-yl)sulfanylethanoate Openeye Name: cyclohexyl 2-(6-chloro-2-phenyl-quinazolin-4-yl)sulfanylacetate CAS Name: 2-[(6-chloro-2-phenyl-4-quinazolinyl)thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetate Traditional Name: 2-[(6-chloro-2-phenyl-quinazolin-4-yl)thio]acetic acid cyclohexyl ester Formula: C22H21ClN2O2S MolecularWeight: 412.93234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CSC2=NC(=NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)OC(=O)CSC2=NC(=NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H21ClN2O2S/c23-16-11-12-19-18(13-16)22(25-21(24-19)15-7-3-1-4-8-15)28-14-20(26)27-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14H2