[2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CSC(=N3)NCC=C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CSC(=N3)NCC=C

InChI

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