6-chloranyl-2-[[(2S)-1-oxidanyl-1-oxidanylidene-3-thiophen-2-yl-propan-2-yl]amino]quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-2-[[(2S)-1-oxidanyl-1-oxidanylidene-3-thiophen-2-yl-propan-2-yl]amino]quinoline-3-carboxylic acid Openeye Name: 6-chloro-2-[[(1S)-2-hydroxy-2-oxo-1-(2-thienylmethyl)ethyl]amino]quinoline-3-carboxylic acid CAS Name: 6-chloro-2-[[(2S)-1-hydroxy-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-2-[[(2S)-1-hydroxy-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]quinoline-3-carboxylic acid Traditional Name: 6-chloro-2-[[(1S)-2-hydroxy-2-keto-1-(2-thenyl)ethyl]amino]quinoline-3-carboxylic acid Formula: C17H13ClN2O4S MolecularWeight: 376.81412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC(C(=O)O)NC2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O

Isomeric SMILES

C1=CSC(=C1)C[C@@H](C(=O)O)NC2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O

InChI

InChI=1S/C17H13ClN2O4S/c18-10-3-4-13-9(6-10)7-12(16(21)22)15(19-13)20-14(17(23)24)8-11-2-1-5-25-11/h1-7,14H,8H2,(H,19,20)(H,21,22)(H,23,24)/t14-/m0/s1