S-tert-butyl 2,4-dimethylquinoline-3-carbothioate

Systemtic Name: S-tert-butyl 2,4-dimethylquinoline-3-carbothioate Openeye Name: S-tert-butyl 2,4-dimethylquinoline-3-carbothioate CAS Name: 2,4-dimethyl-3-quinolinecarbothioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 2,4-dimethylquinoline-3-carbothioate Traditional Name: 2,4-dimethylquinoline-3-carbothioic acid S-tert-butyl ester Formula: C16H19NOS MolecularWeight: 273.39316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)SC(C)(C)C

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)SC(C)(C)C

InChI

InChI=1S/C16H19NOS/c1-10-12-8-6-7-9-13(12)17-11(2)14(10)15(18)19-16(3,4)5/h6-9H,1-5H3