3-butyl-2-methyl-4-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-quinoline-6-carboxylate

Systemtic Name: 3-butyl-2-methyl-4-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-quinoline-6-carboxylate Openeye Name: 3-butyl-2-methyl-4-(2-oxido-2-oxo-ethyl)sulfanyl-quinoline-6-carboxylate CAS Name: 3-butyl-2-methyl-4-[(2-oxido-2-oxoethyl)thio]-6-quinolinecarboxylate IUPAC Name: 3-butyl-2-methyl-4-(2-oxido-2-oxoethyl)sulfanylquinoline-6-carboxylate Traditional Name: 3-butyl-4-[(2-keto-2-oxido-ethyl)thio]-2-methyl-quinoline-6-carboxylate Formula: C17H17NO4S-2 MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=CC(=C2)C(=O)[O-])N=C1C)SCC(=O)[O-]

Isomeric SMILES

CCCCC1=C(C2=C(C=CC(=C2)C(=O)[O-])N=C1C)SCC(=O)[O-]

InChI

InChI=1S/C17H19NO4S/c1-3-4-5-12-10(2)18-14-7-6-11(17(21)22)8-13(14)16(12)23-9-15(19)20/h6-8H,3-5,9H2,1-2H3,(H,19,20)(H,21,22)/p-2