ethyl 8-ethoxy-4-[(3-methylthiophen-2-yl)amino]quinoline-3-carboxylate phosphate

Systemtic Name: ethyl 8-ethoxy-4-[(3-methylthiophen-2-yl)amino]quinoline-3-carboxylate phosphate Openeye Name: ethyl 8-ethoxy-4-[(3-methyl-2-thienyl)amino]quinoline-3-carboxylate phosphate CAS Name: 8-ethoxy-4-[(3-methyl-2-thiophenyl)amino]-3-quinolinecarboxylic acid ethyl ester phosphate IUPAC Name: ethyl 8-ethoxy-4-[(3-methylthiophen-2-yl)amino]quinoline-3-carboxylate phosphate Traditional Name: 8-ethoxy-4-[(3-methyl-2-thienyl)amino]quinoline-3-carboxylic acid ethyl ester phosphate Formula: C19H20N2O7PS-3 MolecularWeight: 451.410061

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C(C(=CN=C21)C(=O)OCC)NC3=C(C=CS3)C.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCOC1=CC=CC2=C(C(=CN=C21)C(=O)OCC)NC3=C(C=CS3)C.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C19H20N2O3S.H3O4P/c1-4-23-15-8-6-7-13-16(21-18-12(3)9-10-25-18)14(11-20-17(13)15)19(22)24-5-2;1-5(2,3)4/h6-11H,4-5H2,1-3H3,(H,20,21);(H3,1,2,3,4)/p-3