methyl 2-acetamido-6-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-oxidanylidene-1,3-thiazolidin-3-yl]hexanoate

Systemtic Name: methyl 2-acetamido-6-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-oxidanylidene-1,3-thiazolidin-3-yl]hexanoate Openeye Name: methyl 2-acetamido-6-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-oxo-thiazolidin-3-yl]hexanoate CAS Name: 2-acetamido-6-[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-oxo-3-thiazolidinyl]hexanoic acid methyl ester IUPAC Name: methyl 2-acetamido-6-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-oxo-1,3-thiazolidin-3-yl]hexanoate Traditional Name: 2-acetamido-6-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-keto-thiazolidin-3-yl]hexanoic acid methyl ester Formula: C23H30N4O4S MolecularWeight: 458.5737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3N(C(=O)CS3)CCCCC(C(=O)OC)NC(=O)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3N(C(=O)CS3)CCCCC(C(=O)OC)NC(=O)C

InChI

InChI=1S/C23H30N4O4S/c1-15-21(16(2)27(25-15)18-10-6-5-7-11-18)22-26(20(29)14-32-22)13-9-8-12-19(23(30)31-4)24-17(3)28/h5-7,10-11,19,22H,8-9,12-14H2,1-4H3,(H,24,28)