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

Systemtic Name: ethyl 4-[2-(7-chloranyl-1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(7-chloro-1-methyl-2-oxo-4-quinolyl)sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(7-chloro-1-methyl-2-oxo-4-quinolinyl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(7-chloro-2-keto-1-methyl-4-quinolyl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H22ClN3O4S MolecularWeight: 423.91368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=CC(=O)N(C3=C2C=CC(=C3)Cl)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=CC(=O)N(C3=C2C=CC(=C3)Cl)C

InChI

InChI=1S/C19H22ClN3O4S/c1-3-27-19(26)23-8-6-22(7-9-23)18(25)12-28-16-11-17(24)21(2)15-10-13(20)4-5-14(15)16/h4-5,10-11H,3,6-9,12H2,1-2H3