ethyl 3-[[2-[2-(3,4-dimethoxyphenyl)sulfanylethanoyl]pyrazolidin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[2-[2-(3,4-dimethoxyphenyl)sulfanylethanoyl]pyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-[2-(3,4-dimethoxyphenyl)sulfanylacetyl]pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-[2-[(3,4-dimethoxyphenyl)thio]-1-oxoethyl]-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-(3,4-dimethoxyphenyl)sulfanylacetyl]pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-[2-[(3,4-dimethoxyphenyl)thio]acetyl]pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)CSC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)CSC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H27N3O6S/c1-4-32-22(28)16-7-5-8-17(13-16)24-23(29)26-12-6-11-25(26)21(27)15-33-18-9-10-19(30-2)20(14-18)31-3/h5,7-10,13-14H,4,6,11-12,15H2,1-3H3,(H,24,29)