ethyl 4-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(1-phenyl-5-tetrazolyl)methylthio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(1-phenyltetrazol-5-yl)methylthio]acetyl]amino]benzoic acid ethyl ester Formula: C19H19N5O3S MolecularWeight: 397.45086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C19H19N5O3S/c1-2-27-19(26)14-8-10-15(11-9-14)20-18(25)13-28-12-17-21-22-23-24(17)16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3,(H,20,25)