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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-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-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=C(SC(=C3C#N)N)C(=O)OCC

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=C(SC(=C3C#N)N)C(=O)OCC

InChI

InChI=1S/C22H21N3O4S/c1-4-16-12(3)18(13-8-6-7-9-17(13)25-16)21(26)29-11-15-14(10-23)20(24)30-19(15)22(27)28-5-2/h6-9H,4-5,11,24H2,1-3H3