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

Systemtic Name: methyl 4-[5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: methyl 4-[5-[2-oxo-2-(1-piperidyl)ethyl]sulfanyltetrazol-1-yl]benzoate CAS Name: 4-[5-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-1-tetrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyltetrazol-1-yl]benzoate Traditional Name: 4-[5-[(2-keto-2-piperidino-ethyl)thio]tetrazol-1-yl]benzoic acid methyl ester Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCCCC3

InChI

InChI=1S/C16H19N5O3S/c1-24-15(23)12-5-7-13(8-6-12)21-16(17-18-19-21)25-11-14(22)20-9-3-2-4-10-20/h5-8H,2-4,9-11H2,1H3