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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl quinoline-2-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl quinoline-2-carboxylate Traditional Name: quinaldic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C19H15N3O4S MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H15N3O4S/c1-2-25-19(24)16-13(12(9-20)17(21)27-16)10-26-18(23)15-8-7-11-5-3-4-6-14(11)22-15/h3-8H,2,10,21H2,1H3