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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 2,4-dimethylquinoline-3-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic 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=C(C3=CC=CC=C3N=C2C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(C3=CC=CC=C3N=C2C)C

InChI

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