ethyl 4-[2-[2-(4-methylquinolin-2-yl)sulfanylethanoyloxy]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-(4-methylquinolin-2-yl)sulfanylethanoyloxy]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]oxyacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethoxy]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(4-methylquinolin-2-yl)sulfanylacetyl]oxyacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-[(4-methyl-2-quinolyl)thio]acetyl]oxyacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-3-28-21(27)24-10-8-23(9-11-24)19(25)13-29-20(26)14-30-18-12-15(2)16-6-4-5-7-17(16)22-18/h4-7,12H,3,8-11,13-14H2,1-2H3