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

Systemtic Name: ethyl 3-[[2-(2-methylsulfanylethanoyl)pyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-(2-methylsulfanylacetyl)pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-[2-(methylthio)-1-oxoethyl]-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-methylsulfanylacetyl)pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-[2-(methylthio)acetyl]pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S/c1-3-23-15(21)12-6-4-7-13(10-12)17-16(22)19-9-5-8-18(19)14(20)11-24-2/h4,6-7,10H,3,5,8-9,11H2,1-2H3,(H,17,22)