2-[[6-(1-benzothiophen-2-yl)-1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[6-(1-benzothiophen-2-yl)-1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[6-(benzothiophen-2-yl)-2-hydroxy-1-methyl-4-oxo-quinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[6-(1-benzothiophen-2-yl)-2-hydroxy-1-methyl-4-oxo-3-quinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[6-(1-benzothiophen-2-yl)-2-hydroxy-1-methyl-4-oxoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[6-(benzothiophen-2-yl)-2-hydroxy-4-keto-1-methyl-quinoline-3-carbonyl]amino]acetic acid Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C3=CC4=CC=CC=C4S3)C(=O)C(=C1O)C(=O)NCC(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)C3=CC4=CC=CC=C4S3)C(=O)C(=C1O)C(=O)NCC(=O)O

InChI

InChI=1S/C21H16N2O5S/c1-23-14-7-6-12(16-9-11-4-2-3-5-15(11)29-16)8-13(14)19(26)18(21(23)28)20(27)22-10-17(24)25/h2-9,28H,10H2,1H3,(H,22,27)(H,24,25)