methyl 6-[2,5-dimethyl-3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrrol-1-yl]hexanoate

Systemtic Name: methyl 6-[2,5-dimethyl-3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrrol-1-yl]hexanoate Openeye Name: methyl 6-[3-[2-(allylamino)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]hexanoate CAS Name: 6-[2,5-dimethyl-3-[2-(prop-2-enylamino)-4-thiazolyl]-1-pyrrolyl]hexanoic acid methyl ester IUPAC Name: methyl 6-[2,5-dimethyl-3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrrol-1-yl]hexanoate Traditional Name: 6-[3-[2-(allylamino)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]hexanoic acid methyl ester Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCCCC(=O)OC)C)C2=CSC(=N2)NCC=C

Isomeric SMILES

CC1=CC(=C(N1CCCCCC(=O)OC)C)C2=CSC(=N2)NCC=C

InChI

InChI=1S/C19H27N3O2S/c1-5-10-20-19-21-17(13-25-19)16-12-14(2)22(15(16)3)11-8-6-7-9-18(23)24-4/h5,12-13H,1,6-11H2,2-4H3,(H,20,21)