4-[(E)-[2-(8-methoxy-2-methyl-quinolin-4-yl)sulfanylethanoylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[2-(8-methoxy-2-methyl-quinolin-4-yl)sulfanylethanoylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[[2-[(8-methoxy-2-methyl-4-quinolyl)sulfanyl]acetyl]hydrazono]methyl]benzoic acid CAS Name: 4-[(E)-[[2-[(8-methoxy-2-methyl-4-quinolinyl)thio]-1-oxoethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[[2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[[2-[(8-methoxy-2-methyl-4-quinolyl)thio]acetyl]hydrazono]methyl]benzoic acid Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC)C(=C1)SCC(=O)NN=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC)C(=C1)SCC(=O)N/N=C/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H19N3O4S/c1-13-10-18(16-4-3-5-17(28-2)20(16)23-13)29-12-19(25)24-22-11-14-6-8-15(9-7-14)21(26)27/h3-11H,12H2,1-2H3,(H,24,25)(H,26,27)/b22-11+