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

Systemtic Name: 1-(3-nitrophenyl)ethyl 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate Openeye Name: 1-(3-nitrophenyl)ethyl 2-(benzylamino)thiazole-4-carboxylate CAS Name: 2-[(phenylmethyl)amino]-4-thiazolecarboxylic acid 1-(3-nitrophenyl)ethyl ester IUPAC Name: 1-(3-nitrophenyl)ethyl 2-(benzylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(benzylamino)thiazole-4-carboxylic acid 1-(3-nitrophenyl)ethyl ester Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CSC(=N2)NCC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CSC(=N2)NCC3=CC=CC=C3

InChI

InChI=1S/C19H17N3O4S/c1-13(15-8-5-9-16(10-15)22(24)25)26-18(23)17-12-27-19(21-17)20-11-14-6-3-2-4-7-14/h2-10,12-13H,11H2,1H3,(H,20,21)