[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1,3-dimethyl-5-thieno[2,3-c]pyrazolecarboxylic acid [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylic acid [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OC(C)C(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)O[C@@H](C)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C17H23N3O3S/c1-11-13-10-14(24-16(13)19(3)18-11)17(22)23-12(2)15(21)20-8-6-4-5-7-9-20/h10,12H,4-9H2,1-3H3/t12-/m0/s1