[1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2-phenylanilino)ethyl] 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [1-oxo-1-(2-phenylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [2-keto-1-methyl-2-(2-phenylanilino)ethyl] ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)C3=CSC(=N3)NCC=C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)C3=CSC(=N3)NCC=C

InChI

InChI=1S/C22H21N3O3S/c1-3-13-23-22-25-19(14-29-22)21(27)28-15(2)20(26)24-18-12-8-7-11-17(18)16-9-5-4-6-10-16/h3-12,14-15H,1,13H2,2H3,(H,23,25)(H,24,26)