2-(2-cyclohexylquinazolin-4-yl)sulfanylethanoic acid

Systemtic Name: 2-(2-cyclohexylquinazolin-4-yl)sulfanylethanoic acid Openeye Name: 2-(2-cyclohexylquinazolin-4-yl)sulfanylacetic acid CAS Name: 2-[(2-cyclohexyl-4-quinazolinyl)thio]acetic acid IUPAC Name: 2-(2-cyclohexylquinazolin-4-yl)sulfanylacetic acid Traditional Name: 2-[(2-cyclohexylquinazolin-4-yl)thio]acetic acid Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC3=CC=CC=C3C(=N2)SCC(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NC3=CC=CC=C3C(=N2)SCC(=O)O

InChI

InChI=1S/C16H18N2O2S/c19-14(20)10-21-16-12-8-4-5-9-13(12)17-15(18-16)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,19,20)