1,3-benzothiazol-2-ylmethyl 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H22N2O2S/c1-3-9-17-15(4-2)22(16-10-5-6-11-18(16)24-17)23(26)27-14-21-25-19-12-7-8-13-20(19)28-21/h5-8,10-13H,3-4,9,14H2,1-2H3