[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-methyl-2-(phenethylamino)-1,3-thiazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-methyl-2-(phenethylamino)-1,3-thiazole-5-carboxylate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 4-methyl-2-(phenethylamino)thiazole-5-carboxylate CAS Name: 4-methyl-2-(phenethylamino)-5-thiazolecarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 4-methyl-2-(phenethylamino)-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(phenethylamino)thiazole-5-carboxylic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NCCC2=CC=CC=C2)C(=O)OCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=N1)NCCC2=CC=CC=C2)C(=O)OCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3S/c1-16-20(29-22(25-16)23-13-12-17-8-4-2-5-9-17)21(27)28-15-19(26)24-14-18-10-6-3-7-11-18/h2-11H,12-15H2,1H3,(H,23,25)(H,24,26)