methyl 2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioylamino]-3-hydroxy-propanoate CAS Name: 2-[[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]-3-hydroxypropanoate Traditional Name: 3-hydroxy-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoylamino]propionic acid methyl ester Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(CO)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(CO)C(=O)OC

InChI

InChI=1S/C16H20N4O4S/c1-10-13(18-16(25)17-12(9-21)15(23)24-3)14(22)20(19(10)2)11-7-5-4-6-8-11/h4-8,12,21H,9H2,1-3H3,(H2,17,18,25)