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

Systemtic Name: 2-methyl-4-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-3-propyl-quinoline-6-carboxylate Openeye Name: 2-methyl-4-(2-oxido-2-oxo-ethyl)sulfanyl-3-propyl-quinoline-6-carboxylate CAS Name: 2-methyl-4-[(2-oxido-2-oxoethyl)thio]-3-propyl-6-quinolinecarboxylate IUPAC Name: 2-methyl-4-(2-oxido-2-oxoethyl)sulfanyl-3-propylquinoline-6-carboxylate Traditional Name: 4-[(2-keto-2-oxido-ethyl)thio]-2-methyl-3-propyl-quinoline-6-carboxylate Formula: C16H15NO4S-2 MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C=CC(=C2)C(=O)[O-])N=C1C)SCC(=O)[O-]

Isomeric SMILES

CCCC1=C(C2=C(C=CC(=C2)C(=O)[O-])N=C1C)SCC(=O)[O-]

InChI

InChI=1S/C16H17NO4S/c1-3-4-11-9(2)17-13-6-5-10(16(20)21)7-12(13)15(11)22-8-14(18)19/h5-7H,3-4,8H2,1-2H3,(H,18,19)(H,20,21)/p-2