6-[[methyl-(phenylmethyl)amino]methyl]-4-oxidanylidene-7-thiophen-3-yl-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-[[methyl-(phenylmethyl)amino]methyl]-4-oxidanylidene-7-thiophen-3-yl-1H-quinoline-3-carboxylic acid Openeye Name: 6-[[benzyl(methyl)amino]methyl]-4-oxo-7-(3-thienyl)-1H-quinoline-3-carboxylic acid CAS Name: 6-[[methyl-(phenylmethyl)amino]methyl]-4-oxo-7-(3-thiophenyl)-1H-quinoline-3-carboxylic acid IUPAC Name: 6-[[benzyl(methyl)amino]methyl]-4-oxo-7-thiophen-3-yl-1H-quinoline-3-carboxylic acid Traditional Name: 6-[[benzyl(methyl)amino]methyl]-4-keto-7-(3-thienyl)-1H-quinoline-3-carboxylic acid Formula: C23H20N2O3S MolecularWeight: 404.4815

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)CC2=C(C=C3C(=C2)C(=O)C(=CN3)C(=O)O)C4=CSC=C4

Isomeric SMILES

CN(CC1=CC=CC=C1)CC2=C(C=C3C(=C2)C(=O)C(=CN3)C(=O)O)C4=CSC=C4

InChI

InChI=1S/C23H20N2O3S/c1-25(12-15-5-3-2-4-6-15)13-17-9-19-21(10-18(17)16-7-8-29-14-16)24-11-20(22(19)26)23(27)28/h2-11,14H,12-13H2,1H3,(H,24,26)(H,27,28)