ethyl 3-[[2-(2-ethylsulfanylethanoyl)pyrazolidin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[2-(2-ethylsulfanylethanoyl)pyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-(2-ethylsulfanylacetyl)pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-[2-(ethylthio)-1-oxoethyl]-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-ethylsulfanylacetyl)pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-[2-(ethylthio)acetyl]pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)CSCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)CSCC

InChI

InChI=1S/C17H23N3O4S/c1-3-24-16(22)13-7-5-8-14(11-13)18-17(23)20-10-6-9-19(20)15(21)12-25-4-2/h5,7-8,11H,3-4,6,9-10,12H2,1-2H3,(H,18,23)