(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid (1-propyltetrazol-5-yl)methyl ester Formula: C20H19N5O3S MolecularWeight: 409.46156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H19N5O3S/c1-2-11-25-18(22-23-24-25)12-27-19(26)15-8-4-3-7-14(15)13-29-20-21-16-9-5-6-10-17(16)28-20/h3-10H,2,11-13H2,1H3