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

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-propan-2-ylquinoline-4-carboxylate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 2-isopropylquinoline-4-carboxylate CAS Name: 2-propan-2-yl-4-quinolinecarboxylic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-propan-2-ylquinoline-4-carboxylate Traditional Name: 2-isopropylcinchoninic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OCC3=NOC(=N3)C4=CSC=C4

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OCC3=NOC(=N3)C4=CSC=C4

InChI

InChI=1S/C20H17N3O3S/c1-12(2)17-9-15(14-5-3-4-6-16(14)21-17)20(24)25-10-18-22-19(26-23-18)13-7-8-27-11-13/h3-9,11-12H,10H2,1-2H3