2-(3,4-dimethoxyphenyl)sulfanyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)carbonyl]pyrazolidin-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)carbonyl]pyrazolidin-1-yl]ethanone Openeye Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[2-(5-methylisoxazole-3-carbonyl)pyrazolidin-1-yl]ethanone CAS Name: 2-[(3,4-dimethoxyphenyl)thio]-1-[2-[(5-methyl-3-isoxazolyl)-oxomethyl]-1-pyrazolidinyl]ethanone IUPAC Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]ethanone Traditional Name: 2-[(3,4-dimethoxyphenyl)thio]-1-[2-(5-methylisoxazole-3-carbonyl)pyrazolidin-1-yl]ethanone Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N2CCCN2C(=O)CSC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=NO1)C(=O)N2CCCN2C(=O)CSC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C18H21N3O5S/c1-12-9-14(19-26-12)18(23)21-8-4-7-20(21)17(22)11-27-13-5-6-15(24-2)16(10-13)25-3/h5-6,9-10H,4,7-8,11H2,1-3H3