ethyl 4-[2-(4,8-dimethylquinolin-2-yl)sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4,8-dimethylquinolin-2-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4,8-dimethyl-2-quinolyl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(C=CC=C3C)C(=C2)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(C=CC=C3C)C(=C2)C

InChI

InChI=1S/C20H25N3O3S/c1-4-26-20(25)23-10-8-22(9-11-23)18(24)13-27-17-12-15(3)16-7-5-6-14(2)19(16)21-17/h5-7,12H,4,8-11,13H2,1-3H3