ethyl 1-[2-(7-chloranyl-1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(7-chloranyl-1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(7-chloro-1-methyl-2-oxo-4-quinolyl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(7-chloro-1-methyl-2-oxo-4-quinolinyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(7-chloro-2-keto-1-methyl-4-quinolyl)thio]acetyl]isonipecotic acid ethyl ester Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=CC(=O)N(C3=C2C=CC(=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=CC(=O)N(C3=C2C=CC(=C3)Cl)C

InChI

InChI=1S/C20H23ClN2O4S/c1-3-27-20(26)13-6-8-23(9-7-13)19(25)12-28-17-11-18(24)22(2)16-10-14(21)4-5-15(16)17/h4-5,10-11,13H,3,6-9,12H2,1-2H3