(4E)-4-[(3-chloranyl-6-methyl-1-benzothiophen-2-yl)carbonylhydrazinylidene]-4-phenyl-butanoic acid

Systemtic Name: (4E)-4-[(3-chloranyl-6-methyl-1-benzothiophen-2-yl)carbonylhydrazinylidene]-4-phenyl-butanoic acid Openeye Name: (4E)-4-[(3-chloro-6-methyl-benzothiophene-2-carbonyl)hydrazono]-4-phenyl-butanoic acid CAS Name: (4E)-4-[[(3-chloro-6-methyl-1-benzothiophen-2-yl)-oxomethyl]hydrazinylidene]-4-phenylbutanoic acid IUPAC Name: (4E)-4-[(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)hydrazinylidene]-4-phenylbutanoic acid Traditional Name: (4E)-4-[(3-chloro-6-methyl-benzothiophene-2-carbonyl)hydrazono]-4-phenyl-butyric acid Formula: C20H17ClN2O3S MolecularWeight: 400.87858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NN=C(CCC(=O)O)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N/N=C(\CCC(=O)O)/C3=CC=CC=C3)Cl

InChI

InChI=1S/C20H17ClN2O3S/c1-12-7-8-14-16(11-12)27-19(18(14)21)20(26)23-22-15(9-10-17(24)25)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,23,26)(H,24,25)/b22-15+