2-ethylhexyl 4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carboxylate

Systemtic Name: 2-ethylhexyl 4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carboxylate Openeye Name: 2-ethylhexyl 4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(2-thiazolylmethyl)-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester Formula: C18H31N3O2S MolecularWeight: 353.52264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)N1CCCN(CC1)CC2=NC=CS2

Isomeric SMILES

CCCCC(CC)COC(=O)N1CCCN(CC1)CC2=NC=CS2

InChI

InChI=1S/C18H31N3O2S/c1-3-5-7-16(4-2)15-23-18(22)21-10-6-9-20(11-12-21)14-17-19-8-13-24-17/h8,13,16H,3-7,9-12,14-15H2,1-2H3