methyl 6-[[4-[4-(3-methylbutanoylamino)phenyl]-1,3-thiazol-2-yl]amino]hexanoate

Systemtic Name: methyl 6-[[4-[4-(3-methylbutanoylamino)phenyl]-1,3-thiazol-2-yl]amino]hexanoate Openeye Name: methyl 6-[[4-[4-(3-methylbutanoylamino)phenyl]thiazol-2-yl]amino]hexanoate CAS Name: 6-[[4-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-thiazolyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-[4-(3-methylbutanoylamino)phenyl]-1,3-thiazol-2-yl]amino]hexanoate Traditional Name: 6-[[4-[4-(isovalerylamino)phenyl]thiazol-2-yl]amino]hexanoic acid methyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NCCCCCC(=O)OC

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NCCCCCC(=O)OC

InChI

InChI=1S/C21H29N3O3S/c1-15(2)13-19(25)23-17-10-8-16(9-11-17)18-14-28-21(24-18)22-12-6-4-5-7-20(26)27-3/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,22,24)(H,23,25)