diethyl 5-[[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[1-(4-bromophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[1-(4-bromophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[1-(4-bromophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[1-(4-bromophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H22BrN3O5S MolecularWeight: 520.39618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C22H22BrN3O5S/c1-5-30-21(28)17-12(3)18(22(29)31-6-2)32-19(17)24-11-16-13(4)25-26(20(16)27)15-9-7-14(23)8-10-15/h7-11,24H,5-6H2,1-4H3