[1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CSC(=N2)NCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CSC(=N2)NCC3=CC=CC=C3

InChI

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