[5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl quinoline-2-carboxylate

Systemtic Name: [5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl quinoline-2-carboxylate Openeye Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thienyl]methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thiophenyl]methyl ester IUPAC Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl quinoline-2-carboxylate Traditional Name: quinaldic acid [5-amino-4-carbethoxy-2-(methylcarbamoyl)-3-thienyl]methyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC(=O)C2=NC3=CC=CC=C3C=C2)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)C2=NC3=CC=CC=C3C=C2)C(=O)NC)N

InChI

InChI=1S/C20H19N3O5S/c1-3-27-20(26)15-12(16(18(24)22-2)29-17(15)21)10-28-19(25)14-9-8-11-6-4-5-7-13(11)23-14/h4-9H,3,10,21H2,1-2H3,(H,22,24)