2-ethylhexyl 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carboxylate

Systemtic Name: 2-ethylhexyl 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carboxylate Openeye Name: 2-ethylhexyl 4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester Formula: C19H33N3O2S MolecularWeight: 367.54922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)N1CCCN(CC1)CC2=CSC(=N2)C

Isomeric SMILES

CCCCC(CC)COC(=O)N1CCCN(CC1)CC2=CSC(=N2)C

InChI

InChI=1S/C19H33N3O2S/c1-4-6-8-17(5-2)14-24-19(23)22-10-7-9-21(11-12-22)13-18-15-25-16(3)20-18/h15,17H,4-14H2,1-3H3