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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C2=CSC(=N2)NCCCCCC(=O)OC

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C2=CSC(=N2)NCCCCCC(=O)OC

InChI

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