(1-oxidanyl-1-oxidanylidene-3-quinolin-8-ylsulfanyl-propan-2-yl)carbamoylboron

Systemtic Name: (1-oxidanyl-1-oxidanylidene-3-quinolin-8-ylsulfanyl-propan-2-yl)carbamoylboron Openeye Name: [2-hydroxy-2-oxo-1-(8-quinolylsulfanylmethyl)ethyl]carbamoylboron CAS Name: [[[1-hydroxy-1-oxo-3-(8-quinolinylthio)propan-2-yl]amino]-oxomethyl]boron IUPAC Name: (1-hydroxy-1-oxo-3-quinolin-8-ylsulfanylpropan-2-yl)carbamoylboron Traditional Name: [2-hydroxy-2-keto-1-[(8-quinolylthio)methyl]ethyl]carbamoylboron Formula: C13H11BN2O3S MolecularWeight: 286.11404

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Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)NC(CSC1=CC=CC2=C1N=CC=C2)C(=O)O

Isomeric SMILES

[B]C(=O)NC(CSC1=CC=CC2=C1N=CC=C2)C(=O)O

InChI

InChI=1S/C13H11BN2O3S/c14-13(19)16-9(12(17)18)7-20-10-5-1-3-8-4-2-6-15-11(8)10/h1-6,9H,7H2,(H,16,19)(H,17,18)