[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-ethyl-amino]-2-oxo-ethyl] 1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(3-chlorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 1-(3-chlorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid [2-[(1,1-diketothiolan-3-yl)-ethyl-amino]-2-keto-ethyl] ester Formula: C21H22ClN3O5S2 MolecularWeight: 495.99948

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H22ClN3O5S2/c1-3-24(16-7-8-32(28,29)12-16)19(26)11-30-21(27)18-10-17-13(2)23-25(20(17)31-18)15-6-4-5-14(22)9-15/h4-6,9-10,16H,3,7-8,11-12H2,1-2H3