(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-cyclopropylquinoline-4-carboxylate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-cyclopropylquinoline-4-carboxylate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-cyclopropylquinoline-4-carboxylate CAS Name: 2-cyclopropyl-4-quinolinecarboxylic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-cyclopropylquinoline-4-carboxylate Traditional Name: 2-cyclopropylcinchoninic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=NC(=NO4)C5=CSC=C5

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=NC(=NO4)C5=CSC=C5

InChI

InChI=1S/C20H15N3O3S/c24-20(25-10-18-22-19(23-26-18)13-7-8-27-11-13)15-9-17(12-5-6-12)21-16-4-2-1-3-14(15)16/h1-4,7-9,11-12H,5-6,10H2