3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(E)-3-oxidanylidene-3-thiophen-2-yl-prop-1-enyl]pyrazol-1-yl]propanoate

Systemtic Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(E)-3-oxidanylidene-3-thiophen-2-yl-prop-1-enyl]pyrazol-1-yl]propanoate Openeye Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(E)-3-oxo-3-(2-thienyl)prop-1-enyl]pyrazol-1-yl]propanoate CAS Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]-1-pyrazolyl]propanoate IUPAC Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]pyrazol-1-yl]propanoate Traditional Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(E)-3-keto-3-(2-thienyl)prop-1-enyl]pyrazol-1-yl]propionate Formula: C21H17N2O5S- MolecularWeight: 409.43508

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=CC(=O)C4=CC=CS4)CCC(=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3/C=C/C(=O)C4=CC=CS4)CCC(=O)[O-]

InChI

InChI=1S/C21H18N2O5S/c24-16(19-2-1-11-29-19)5-3-15-13-23(8-7-20(25)26)22-21(15)14-4-6-17-18(12-14)28-10-9-27-17/h1-6,11-13H,7-10H2,(H,25,26)/p-1/b5-3+