(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 2-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 2-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) 2-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl]thio]benzoic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-2-yl) 2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl]thio]benzoic acid (2-keto-1-methyl-2-morpholino-ethyl) ester Formula: C27H30N4O6S MolecularWeight: 538.6153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=CC=CC=C3C(=O)OC(C)C(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=CC=CC=C3C(=O)OC(C)C(=O)N4CCOCC4

InChI

InChI=1S/C27H30N4O6S/c1-18-24(26(34)31(29(18)3)20-9-5-4-6-10-20)28-23(32)17-38-22-12-8-7-11-21(22)27(35)37-19(2)25(33)30-13-15-36-16-14-30/h4-12,19H,13-17H2,1-3H3,(H,28,32)