ethyl 1-[2-[4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]carbonyloxyethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]carbonyloxyethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoyl]oxyacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[[4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]phenyl]-oxomethoxy]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoyl]oxyacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoyl]oxyacetyl]nipecotic acid ethyl ester Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=NN=C3SC)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=NN=C3SC)C

InChI

InChI=1S/C21H26N4O5S/c1-4-29-20(28)16-6-5-11-24(12-16)18(26)13-30-19(27)15-7-9-17(10-8-15)25-14(2)22-23-21(25)31-3/h7-10,16H,4-6,11-13H2,1-3H3