ethyl 3-butyl-5-methylsulfanyl-4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: ethyl 3-butyl-5-methylsulfanyl-4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: ethyl 3-butyl-5-methylsulfanyl-4-oxo-1H-quinoline-2-carboxylate CAS Name: 3-butyl-5-(methylthio)-4-oxo-1H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-5-methylsulfanyl-4-oxo-1H-quinoline-2-carboxylate Traditional Name: 3-butyl-4-keto-5-(methylthio)-1H-quinoline-2-carboxylic acid ethyl ester Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC2=C(C1=O)C(=CC=C2)SC)C(=O)OCC

Isomeric SMILES

CCCCC1=C(NC2=C(C1=O)C(=CC=C2)SC)C(=O)OCC

InChI

InChI=1S/C17H21NO3S/c1-4-6-8-11-15(17(20)21-5-2)18-12-9-7-10-13(22-3)14(12)16(11)19/h7,9-10H,4-6,8H2,1-3H3,(H,18,19)