(2-chloranylquinolin-3-yl)methyl 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate Openeye Name: (2-chloro-3-quinolyl)methyl 2-(benzylamino)thiazole-4-carboxylate CAS Name: 2-[(phenylmethyl)amino]-4-thiazolecarboxylic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(benzylamino)thiazole-4-carboxylic acid (2-chloro-3-quinolyl)methyl ester Formula: C21H16ClN3O2S MolecularWeight: 409.88864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=CS2)C(=O)OCC3=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=CS2)C(=O)OCC3=CC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C21H16ClN3O2S/c22-19-16(10-15-8-4-5-9-17(15)24-19)12-27-20(26)18-13-28-21(25-18)23-11-14-6-2-1-3-7-14/h1-10,13H,11-12H2,(H,23,25)