methyl 4-[5-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]benzoate

Systemtic Name: methyl 4-[5-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: methyl 4-[5-(2-morpholino-2-oxo-ethyl)sulfanyltetrazol-1-yl]benzoate CAS Name: 4-[5-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1-tetrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyltetrazol-1-yl]benzoate Traditional Name: 4-[5-[(2-keto-2-morpholino-ethyl)thio]tetrazol-1-yl]benzoic acid methyl ester Formula: C15H17N5O4S MolecularWeight: 363.39158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCOCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCOCC3

InChI

InChI=1S/C15H17N5O4S/c1-23-14(22)11-2-4-12(5-3-11)20-15(16-17-18-20)25-10-13(21)19-6-8-24-9-7-19/h2-5H,6-10H2,1H3