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

Systemtic Name: cyclohexylmethyl 2-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: cyclohexylmethyl 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 cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 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 cyclohexylmethyl ester Formula: C27H31N3O4S MolecularWeight: 493.61774

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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)OCC4CCCCC4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=CC=CC=C3C(=O)OCC4CCCCC4

InChI

InChI=1S/C27H31N3O4S/c1-19-25(26(32)30(29(19)2)21-13-7-4-8-14-21)28-24(31)18-35-23-16-10-9-15-22(23)27(33)34-17-20-11-5-3-6-12-20/h4,7-10,13-16,20H,3,5-6,11-12,17-18H2,1-2H3,(H,28,31)