(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 2,6-dimethylquinoline-4-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 2,6-dimethylquinoline-4-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 2,6-dimethylquinoline-4-carboxylate CAS Name: 2,6-dimethyl-4-quinolinecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 2,6-dimethylquinoline-4-carboxylate Traditional Name: 2,6-dimethylcinchoninic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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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=C2C=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C

InChI

InChI=1S/C21H19N3O4S/c1-4-27-21(26)18-16(15(9-22)19(23)29-18)10-28-20(25)14-8-12(3)24-17-6-5-11(2)7-13(14)17/h5-8H,4,10,23H2,1-3H3