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

Systemtic Name: methyl 6-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]amino]hexanoate Openeye Name: methyl 6-[[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]amino]hexanoate CAS Name: 6-[[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]amino]hexanoate Traditional Name: 6-[[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]amino]hexanoic acid methyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC1=NC(=CS1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)CCCCCNC1=NC(=CS1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H20N2O4S/c1-21-16(20)5-3-2-4-8-18-17-19-13(10-24-17)12-6-7-14-15(9-12)23-11-22-14/h6-7,9-10H,2-5,8,11H2,1H3,(H,18,19)