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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H18N2O2S/c1-3-15-13(2)20(14-8-4-5-9-16(14)22-15)21(24)25-12-19-23-17-10-6-7-11-18(17)26-19/h4-11H,3,12H2,1-2H3