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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)NCC2=CC=CC=C2F

Isomeric SMILES

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)NCC2=CC=CC=C2F

InChI

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