(4-oxidanylidene-4-thiophen-2-yl-butyl) 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1,3-dimethyl-5-thieno[2,3-c]pyrazolecarboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C16H16N2O3S2 MolecularWeight: 348.43984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCCCC(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCCCC(=O)C3=CC=CS3)C

InChI

InChI=1S/C16H16N2O3S2/c1-10-11-9-14(23-15(11)18(2)17-10)16(20)21-7-3-5-12(19)13-6-4-8-22-13/h4,6,8-9H,3,5,7H2,1-2H3