ethyl 1-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)CSC3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)CSC3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C23H23N3O5S/c1-3-29-23(28)19-13-24-26(15(19)2)17-6-4-16(5-7-17)25-22(27)14-32-18-8-9-20-21(12-18)31-11-10-30-20/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,25,27)