ethyl 6-iodanyl-1-[(2S)-3-methyl-1-oxidanyl-butan-2-yl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 6-iodanyl-1-[(2S)-3-methyl-1-oxidanyl-butan-2-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-[(1S)-1-(hydroxymethyl)-2-methyl-propyl]-6-iodo-4-oxo-quinoline-3-carboxylate CAS Name: 1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-iodo-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-iodo-4-oxoquinoline-3-carboxylate Traditional Name: 6-iodo-4-keto-1-[(1S)-2-methyl-1-methylol-propyl]quinoline-3-carboxylic acid ethyl ester Formula: C17H20INO4 MolecularWeight: 429.24947

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)I)C(CO)C(C)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)I)[C@H](CO)C(C)C

InChI

InChI=1S/C17H20INO4/c1-4-23-17(22)13-8-19(15(9-20)10(2)3)14-6-5-11(18)7-12(14)16(13)21/h5-8,10,15,20H,4,9H2,1-3H3/t15-/m1/s1