dimethyl 3-[4-[(3-methylsulfanyl-4-oxidanylidene-6,7-dihydro-5H-2-benzothiophen-1-yl)carbonylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(3-methylsulfanyl-4-oxidanylidene-6,7-dihydro-5H-2-benzothiophen-1-yl)carbonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carbonyl)amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[[3-(methylthio)-4-oxo-6,7-dihydro-5H-2-benzothiophen-1-yl]-oxomethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carbonyl)amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[[4-keto-3-(methylthio)-6,7-dihydro-5H-isobenzothiophene-1-carbonyl]amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C20H23N3O6S2 MolecularWeight: 465.54312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2=C3CCCC(=O)C3=C(S2)SC

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2=C3CCCC(=O)C3=C(S2)SC

InChI

InChI=1S/C20H23N3O6S2/c1-28-15(25)7-12(8-16(26)29-2)23-10-11(9-21-23)22-19(27)18-13-5-4-6-14(24)17(13)20(30-3)31-18/h9-10,12H,4-8H2,1-3H3,(H,22,27)