ethyl 1-[[4-(2-methoxy-5-methyl-phenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[4-(2-methoxy-5-methyl-phenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[[4-(2-methoxy-5-methyl-phenyl)-5-thioxo-tetrazol-1-yl]methyl]piperidine-3-carboxylate CAS Name: 1-[[4-(2-methoxy-5-methylphenyl)-5-sulfanylidene-1-tetrazolyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-(2-methoxy-5-methylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]piperidine-3-carboxylate Traditional Name: 1-[[4-(2-methoxy-5-methyl-phenyl)-5-thioxo-tetrazol-1-yl]methyl]nipecotic acid ethyl ester Formula: C18H25N5O3S MolecularWeight: 391.4878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CN2C(=S)N(N=N2)C3=C(C=CC(=C3)C)OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CN2C(=S)N(N=N2)C3=C(C=CC(=C3)C)OC

InChI

InChI=1S/C18H25N5O3S/c1-4-26-17(24)14-6-5-9-21(11-14)12-22-18(27)23(20-19-22)15-10-13(2)7-8-16(15)25-3/h7-8,10,14H,4-6,9,11-12H2,1-3H3