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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C23H16ClN3O4S2 MolecularWeight: 497.97384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

InChI

InChI=1S/C23H16ClN3O4S2/c1-2-30-23(29)20-15(14(10-25)21(26)33-20)11-31-22(28)13-9-17(18-7-8-19(24)32-18)27-16-6-4-3-5-12(13)16/h3-9H,2,11,26H2,1H3