(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid (1-propyltetrazol-5-yl)methyl ester Formula: C18H23N5O3S MolecularWeight: 389.47192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

InChI

InChI=1S/C18H23N5O3S/c1-2-9-23-16(19-20-21-23)12-26-18(25)14-7-3-4-8-15(14)27-13-17(24)22-10-5-6-11-22/h3-4,7-8H,2,5-6,9-13H2,1H3