methyl 6-[[5-methyl-4-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazol-2-yl]amino]hexanoate

Systemtic Name: methyl 6-[[5-methyl-4-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazol-2-yl]amino]hexanoate Openeye Name: methyl 6-[[5-methyl-4-[4-(2-methylpropanoylamino)phenyl]thiazol-2-yl]amino]hexanoate CAS Name: 6-[[5-methyl-4-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-thiazolyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[5-methyl-4-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazol-2-yl]amino]hexanoate Traditional Name: 6-[[4-[4-(isobutyrylamino)phenyl]-5-methyl-thiazol-2-yl]amino]hexanoic acid methyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NCCCCCC(=O)OC)C2=CC=C(C=C2)NC(=O)C(C)C

Isomeric SMILES

CC1=C(N=C(S1)NCCCCCC(=O)OC)C2=CC=C(C=C2)NC(=O)C(C)C

InChI

InChI=1S/C21H29N3O3S/c1-14(2)20(26)23-17-11-9-16(10-12-17)19-15(3)28-21(24-19)22-13-7-5-6-8-18(25)27-4/h9-12,14H,5-8,13H2,1-4H3,(H,22,24)(H,23,26)