8-(2-methoxyethoxymethoxymethyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid

Systemtic Name: 8-(2-methoxyethoxymethoxymethyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid Openeye Name: 8-(2-methoxyethoxymethoxymethyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid CAS Name: 8-(2-methoxyethoxymethoxymethyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid IUPAC Name: 8-(2-methoxyethoxymethoxymethyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid Traditional Name: 8-(2-methoxyethoxymethoxymethyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCOCC1=CC2=C(C=C1)SCC3=C2N(N=C3C(=O)O)C4=CC=CC=C4

Isomeric SMILES

COCCOCOCC1=CC2=C(C=C1)SCC3=C2N(N=C3C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O5S/c1-27-9-10-28-14-29-12-15-7-8-19-17(11-15)21-18(13-30-19)20(22(25)26)23-24(21)16-5-3-2-4-6-16/h2-8,11H,9-10,12-14H2,1H3,(H,25,26)