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

Systemtic Name: methyl 6-[[4-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]hexanoate Openeye Name: methyl 6-[[4-[3-(2-oxopyrrolidin-1-yl)phenyl]thiazol-2-yl]amino]hexanoate CAS Name: 6-[[4-[3-(2-oxo-1-pyrrolidinyl)phenyl]-2-thiazolyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]hexanoate Traditional Name: 6-[[4-[3-(2-ketopyrrolidino)phenyl]thiazol-2-yl]amino]hexanoic acid methyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC1=NC(=CS1)C2=CC(=CC=C2)N3CCCC3=O

Isomeric SMILES

COC(=O)CCCCCNC1=NC(=CS1)C2=CC(=CC=C2)N3CCCC3=O

InChI

InChI=1S/C20H25N3O3S/c1-26-19(25)10-3-2-4-11-21-20-22-17(14-27-20)15-7-5-8-16(13-15)23-12-6-9-18(23)24/h5,7-8,13-14H,2-4,6,9-12H2,1H3,(H,21,22)