ethyl 6-chloranyl-7-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-2-sulfanyl-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-7-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-2-sulfanyl-1H-quinoline-3-carboxylate Openeye Name: ethyl 7-(4-acetylpiperazin-1-yl)-6-chloro-4-oxo-2-sulfanyl-1H-quinoline-3-carboxylate CAS Name: 7-(4-acetyl-1-piperazinyl)-6-chloro-2-mercapto-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(4-acetylpiperazin-1-yl)-6-chloro-4-oxo-2-sulfanyl-1H-quinoline-3-carboxylate Traditional Name: 7-(4-acetylpiperazino)-6-chloro-4-keto-2-mercapto-1H-quinoline-3-carboxylic acid ethyl ester Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC(=C(C=C2C1=O)Cl)N3CCN(CC3)C(=O)C)S

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC(=C(C=C2C1=O)Cl)N3CCN(CC3)C(=O)C)S

InChI

InChI=1S/C18H20ClN3O4S/c1-3-26-18(25)15-16(24)11-8-12(19)14(9-13(11)20-17(15)27)22-6-4-21(5-7-22)10(2)23/h8-9H,3-7H2,1-2H3,(H2,20,24,27)