O2-ethyl O4-methyl 5-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 5-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 5-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 5-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C21H19N3O7S MolecularWeight: 457.45646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4)C(=O)OC)C

InChI

InChI=1S/C21H19N3O7S/c1-4-29-21(27)17-10(2)16(20(26)28-3)19(32-17)22-18(25)13-8-12(23-24-13)11-5-6-14-15(7-11)31-9-30-14/h5-8H,4,9H2,1-3H3,(H,22,25)(H,23,24)