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

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3=CC=CC=C3SCC(=O)N4CCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3=CC=CC=C3SCC(=O)N4CCCC4

InChI

InChI=1S/C26H28N4O4S/c1-18-25(19(2)30(28-18)20-10-4-3-5-11-20)27-23(31)16-34-26(33)21-12-6-7-13-22(21)35-17-24(32)29-14-8-9-15-29/h3-7,10-13H,8-9,14-17H2,1-2H3,(H,27,31)