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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 2-methylquinoline-4-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 2-methylquinoline-4-carboxylate CAS Name: 2-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-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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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=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C20H17N3O4S/c1-3-26-20(25)17-15(14(9-21)18(22)28-17)10-27-19(24)13-8-11(2)23-16-7-5-4-6-12(13)16/h4-8H,3,10,22H2,1-2H3