methyl 4-[(E)-[2-(2,8-dimethylquinolin-4-yl)sulfanylethanoylhydrazinylidene]methyl]benzoate

Systemtic Name: methyl 4-[(E)-[2-(2,8-dimethylquinolin-4-yl)sulfanylethanoylhydrazinylidene]methyl]benzoate Openeye Name: methyl 4-[(E)-[[2-[(2,8-dimethyl-4-quinolyl)sulfanyl]acetyl]hydrazono]methyl]benzoate CAS Name: 4-[(E)-[[2-[(2,8-dimethyl-4-quinolinyl)thio]-1-oxoethyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[[2-(2,8-dimethylquinolin-4-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoate Traditional Name: 4-[(E)-[[2-[(2,8-dimethyl-4-quinolyl)thio]acetyl]hydrazono]methyl]benzoic acid methyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2SCC(=O)NN=CC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2SCC(=O)N/N=C/C3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C22H21N3O3S/c1-14-5-4-6-18-19(11-15(2)24-21(14)18)29-13-20(26)25-23-12-16-7-9-17(10-8-16)22(27)28-3/h4-12H,13H2,1-3H3,(H,25,26)/b23-12+