(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Openeye Name: (1-propyltetrazol-5-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexanecarboxylic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid (1-propyltetrazol-5-yl)methyl ester Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2(CCCCC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2(CCCCC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H25N5O2S/c1-2-12-25-17(22-23-24-25)14-27-19(26)20(10-6-3-7-11-20)13-18-21-15-8-4-5-9-16(15)28-18/h4-5,8-9H,2-3,6-7,10-14H2,1H3