ethyl 6-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]carbonylamino]hexanoate

Systemtic Name: ethyl 6-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]carbonylamino]hexanoate Openeye Name: ethyl 6-[[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]amino]hexanoate CAS Name: 6-[[[4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]amino]hexanoate Traditional Name: 6-[[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]amino]hexanoic acid ethyl ester Formula: C19H32N4O3S MolecularWeight: 396.54738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCNC(=O)N1CCCN(CC1)CC2=CSC(=N2)C

Isomeric SMILES

CCOC(=O)CCCCCNC(=O)N1CCCN(CC1)CC2=CSC(=N2)C

InChI

InChI=1S/C19H32N4O3S/c1-3-26-18(24)8-5-4-6-9-20-19(25)23-11-7-10-22(12-13-23)14-17-15-27-16(2)21-17/h15H,3-14H2,1-2H3,(H,20,25)