ethyl 5-azanyl-1-[(2-ethoxycarbonylphenyl)sulfonylcarbamoyl]-3-(phenylmethylsulfanyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[(2-ethoxycarbonylphenyl)sulfonylcarbamoyl]-3-(phenylmethylsulfanyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-3-benzylsulfanyl-1-[(2-ethoxycarbonylphenyl)sulfonylcarbamoyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[[(2-ethoxycarbonylphenyl)sulfonylamino]-oxomethyl]-3-(phenylmethylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-benzylsulfanyl-1-[(2-ethoxycarbonylphenyl)sulfonylcarbamoyl]pyrazole-4-carboxylate Traditional Name: 5-amino-3-(benzylthio)-1-[(2-carbethoxyphenyl)sulfonylcarbamoyl]pyrazole-4-carboxylic acid ethyl ester Formula: C23H24N4O7S2 MolecularWeight: 532.58926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)N2C(=C(C(=N2)SCC3=CC=CC=C3)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)N2C(=C(C(=N2)SCC3=CC=CC=C3)C(=O)OCC)N

InChI

InChI=1S/C23H24N4O7S2/c1-3-33-21(28)16-12-8-9-13-17(16)36(31,32)26-23(30)27-19(24)18(22(29)34-4-2)20(25-27)35-14-15-10-6-5-7-11-15/h5-13H,3-4,14,24H2,1-2H3,(H,26,30)