1-[(E)-3-oxidanylideneprop-1-enyl]-6-phenyl-6-thiophen-3-yl-7H-indazole-3-carboxylic acid

Systemtic Name: 1-[(E)-3-oxidanylideneprop-1-enyl]-6-phenyl-6-thiophen-3-yl-7H-indazole-3-carboxylic acid Openeye Name: 1-[(E)-3-oxoprop-1-enyl]-6-phenyl-6-(3-thienyl)-7H-indazole-3-carboxylic acid CAS Name: 1-[(E)-3-oxoprop-1-enyl]-6-phenyl-6-(3-thiophenyl)-7H-indazole-3-carboxylic acid IUPAC Name: 1-[(E)-3-oxoprop-1-enyl]-6-phenyl-6-thiophen-3-yl-7H-indazole-3-carboxylic acid Traditional Name: 1-[(E)-3-ketoprop-1-enyl]-6-phenyl-6-(3-thienyl)-7H-indazole-3-carboxylic acid Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC1(C3=CC=CC=C3)C4=CSC=C4)C(=NN2C=CC=O)C(=O)O

Isomeric SMILES

C1C2=C(C=CC1(C3=CC=CC=C3)C4=CSC=C4)C(=NN2/C=C/C=O)C(=O)O

InChI

InChI=1S/C21H16N2O3S/c24-11-4-10-23-18-13-21(16-8-12-27-14-16,15-5-2-1-3-6-15)9-7-17(18)19(22-23)20(25)26/h1-12,14H,13H2,(H,25,26)/b10-4+