ethyl 3-[[2-[(2-methoxy-2-oxidanylidene-ethyl)carbamothioyl]pyrazolidin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[2-[(2-methoxy-2-oxidanylidene-ethyl)carbamothioyl]pyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-[(2-methoxy-2-oxo-ethyl)carbamothioyl]pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-[[(2-methoxy-2-oxoethyl)amino]-sulfanylidenemethyl]-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(2-methoxy-2-oxoethyl)carbamothioyl]pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-[(2-keto-2-methoxy-ethyl)thiocarbamoyl]pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=S)NCC(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=S)NCC(=O)OC

InChI

InChI=1S/C17H22N4O5S/c1-3-26-15(23)12-6-4-7-13(10-12)19-16(24)20-8-5-9-21(20)17(27)18-11-14(22)25-2/h4,6-7,10H,3,5,8-9,11H2,1-2H3,(H,18,27)(H,19,24)