5-(2-ethylsulfanylpropyl)-2-[1-[(2-hydroxyphenyl)amino]butylidene]cyclohexane-1,3-dione

Systemtic Name: 5-(2-ethylsulfanylpropyl)-2-[1-[(2-hydroxyphenyl)amino]butylidene]cyclohexane-1,3-dione Openeye Name: 5-(2-ethylsulfanylpropyl)-2-[1-(2-hydroxyanilino)butylidene]cyclohexane-1,3-dione CAS Name: 5-[2-(ethylthio)propyl]-2-[1-(2-hydroxyanilino)butylidene]cyclohexane-1,3-dione IUPAC Name: 5-(2-ethylsulfanylpropyl)-2-[1-(2-hydroxyanilino)butylidene]cyclohexane-1,3-dione Traditional Name: 5-[2-(ethylthio)propyl]-2-[1-(2-hydroxyanilino)butylidene]cyclohexane-1,3-quinone Formula: C21H29NO3S MolecularWeight: 375.52486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)CC(C)SCC)NC2=CC=CC=C2O

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)CC(C)SCC)NC2=CC=CC=C2O

InChI

InChI=1S/C21H29NO3S/c1-4-8-17(22-16-9-6-7-10-18(16)23)21-19(24)12-15(13-20(21)25)11-14(3)26-5-2/h6-7,9-10,14-15,22-23H,4-5,8,11-13H2,1-3H3