methyl 4-(2-chloranylquinazolin-4-yl)sulfanylcyclohexane-1-carboxylate

Systemtic Name: methyl 4-(2-chloranylquinazolin-4-yl)sulfanylcyclohexane-1-carboxylate Openeye Name: methyl 4-(2-chloroquinazolin-4-yl)sulfanylcyclohexanecarboxylate CAS Name: 4-[(2-chloro-4-quinazolinyl)thio]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-chloroquinazolin-4-yl)sulfanylcyclohexane-1-carboxylate Traditional Name: 4-[(2-chloroquinazolin-4-yl)thio]cyclohexanecarboxylic acid methyl ester Formula: C16H17ClN2O2S MolecularWeight: 336.83638

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)SC2=NC(=NC3=CC=CC=C32)Cl

Isomeric SMILES

COC(=O)C1CCC(CC1)SC2=NC(=NC3=CC=CC=C32)Cl

InChI

InChI=1S/C16H17ClN2O2S/c1-21-15(20)10-6-8-11(9-7-10)22-14-12-4-2-3-5-13(12)18-16(17)19-14/h2-5,10-11H,6-9H2,1H3