[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C17H21N3O3S MolecularWeight: 347.43194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC(=O)NCCCC2=CC=CC=C2)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC(=O)NCCCC2=CC=CC=C2)NC

InChI

InChI=1S/C17H21N3O3S/c1-12-15(16(18-2)24-20-12)17(22)23-11-14(21)19-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,18H,6,9-11H2,1-2H3,(H,19,21)