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

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CSC(=N2)NCC=C

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CSC(=N2)NCC=C

InChI

InChI=1S/C17H19N3O3S/c1-3-9-18-17-20-14(11-24-17)16(22)23-12(2)15(21)19-10-13-7-5-4-6-8-13/h3-8,11-12H,1,9-10H2,2H3,(H,18,20)(H,19,21)