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

Systemtic Name: ethyl 3-[[2-(3-methylsulfanylpropanoyl)pyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-(3-methylsulfanylpropanoyl)pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-[3-(methylthio)-1-oxopropyl]-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3-methylsulfanylpropanoyl)pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-[3-(methylthio)propanoyl]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)CCSC

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4S/c1-3-24-16(22)13-6-4-7-14(12-13)18-17(23)20-10-5-9-19(20)15(21)8-11-25-2/h4,6-7,12H,3,5,8-11H2,1-2H3,(H,18,23)