ethyl 5-azanyl-3-ethoxycarbonylsulfanyl-1-(phenylcarbonyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-3-ethoxycarbonylsulfanyl-1-(phenylcarbonyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-benzoyl-3-ethoxycarbonylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-benzoyl-3-(ethoxycarbonylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-benzoyl-3-ethoxycarbonylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-1-benzoyl-3-(carbethoxythio)pyrazole-4-carboxylic acid ethyl ester Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SC(=O)OCC)C(=O)C2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SC(=O)OCC)C(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C16H17N3O5S/c1-3-23-15(21)11-12(17)19(14(20)10-8-6-5-7-9-10)18-13(11)25-16(22)24-4-2/h5-9H,3-4,17H2,1-2H3