(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 7-fluoranyl-2-methyl-quinoline-3-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 7-fluoranyl-2-methyl-quinoline-3-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 7-fluoro-2-methyl-quinoline-3-carboxylate CAS Name: 7-fluoro-2-methyl-3-quinolinecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 7-fluoro-2-methylquinoline-3-carboxylate Traditional Name: 7-fluoro-2-methyl-quinoline-3-carboxylic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C20H16FN3O4S MolecularWeight: 413.422143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(N=C3C=C(C=CC3=C2)F)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(N=C3C=C(C=CC3=C2)F)C

InChI

InChI=1S/C20H16FN3O4S/c1-3-27-20(26)17-15(14(8-22)18(23)29-17)9-28-19(25)13-6-11-4-5-12(21)7-16(11)24-10(13)2/h4-7H,3,9,23H2,1-2H3