[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C18H22FN3O3S MolecularWeight: 379.448983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C18H22FN3O3S/c1-12(2)7-8-20-18-22-15(11-26-18)17(24)25-10-16(23)21-9-13-3-5-14(19)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,20,22)(H,21,23)