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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 6-methoxyquinoline-2-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 6-methoxyquinoline-2-carboxylate CAS Name: 6-methoxy-2-quinolinecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 6-methoxyquinoline-2-carboxylate Traditional Name: 6-methoxyquinaldic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O5S/c1-3-27-20(25)17-14(13(9-21)18(22)29-17)10-28-19(24)16-6-4-11-8-12(26-2)5-7-15(11)23-16/h4-8H,3,10,22H2,1-2H3