methyl 4,4-bis(oxidanylidene)-3a-phenyl-1H-[1]benzothiolo[2,3-c]pyrazole-8b-carboxylate

Systemtic Name: methyl 4,4-bis(oxidanylidene)-3a-phenyl-1H-[1]benzothiolo[2,3-c]pyrazole-8b-carboxylate Openeye Name: methyl 4,4-dioxo-3a-phenyl-1H-benzothiopheno[2,3-c]pyrazole-8b-carboxylate CAS Name: 4,4-dioxo-3a-phenyl-1H-[1]benzothiolo[2,3-c]pyrazole-8b-carboxylic acid methyl ester IUPAC Name: methyl 4,4-dioxo-3a-phenyl-1H-[1]benzothiolo[2,3-c]pyrazole-8b-carboxylate Traditional Name: 4,4-diketo-3a-phenyl-1H-benzothiopheno[2,3-c]pyrazole-8b-carboxylic acid methyl ester Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CN=NC1(S(=O)(=O)C3=CC=CC=C23)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C12CN=NC1(S(=O)(=O)C3=CC=CC=C23)C4=CC=CC=C4

InChI

InChI=1S/C17H14N2O4S/c1-23-15(20)16-11-18-19-17(16,12-7-3-2-4-8-12)24(21,22)14-10-6-5-9-13(14)16/h2-10H,11H2,1H3