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

Systemtic Name: (4-nitrophenyl)methyl 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(benzylamino)thiazole-4-carboxylate CAS Name: 2-[(phenylmethyl)amino]-4-thiazolecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(benzylamino)thiazole-4-carboxylic acid (4-nitrobenzyl) ester Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=CS2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=CS2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O4S/c22-17(25-11-14-6-8-15(9-7-14)21(23)24)16-12-26-18(20-16)19-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,19,20)