[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1,3-dimethyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C18H19N3O3S2 MolecularWeight: 389.49176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)NCCSC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)NCCSC3=CC=CC=C3)C

InChI

InChI=1S/C18H19N3O3S2/c1-12-14-10-15(26-17(14)21(2)20-12)18(23)24-11-16(22)19-8-9-25-13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3,(H,19,22)