6-[(2E)-3,3,5-trimethyl-2-[(3-oxidanylidene-2-sulfanyl-4-sulfanylidene-cyclobuten-1-yl)methylidene]indol-1-yl]hexanoic acid

Systemtic Name: 6-[(2E)-3,3,5-trimethyl-2-[(3-oxidanylidene-2-sulfanyl-4-sulfanylidene-cyclobuten-1-yl)methylidene]indol-1-yl]hexanoic acid Openeye Name: 6-[(2E)-3,3,5-trimethyl-2-[(3-oxo-2-sulfanyl-4-thioxo-cyclobuten-1-yl)methylene]indolin-1-yl]hexanoic acid CAS Name: 6-[(2E)-2-[(2-mercapto-3-oxo-4-sulfanylidene-1-cyclobutenyl)methylidene]-3,3,5-trimethyl-1-indolyl]hexanoic acid IUPAC Name: 6-[(2E)-3,3,5-trimethyl-2-[(3-oxo-2-sulfanyl-4-sulfanylidenecyclobuten-1-yl)methylidene]indol-1-yl]hexanoic acid Traditional Name: 6-[(2E)-2-[(3-keto-2-mercapto-4-thioxo-cyclobuten-1-yl)methylene]-3,3,5-trimethyl-indolin-1-yl]hexanoic acid Formula: C22H25NO3S2 MolecularWeight: 415.5688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=CC3=C(C(=O)C3=S)S)C2(C)C)CCCCCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(/C(=C/C3=C(C(=O)C3=S)S)/C2(C)C)CCCCCC(=O)O

InChI

InChI=1S/C22H25NO3S2/c1-13-8-9-16-15(11-13)22(2,3)17(12-14-20(27)19(26)21(14)28)23(16)10-6-4-5-7-18(24)25/h8-9,11-12,27H,4-7,10H2,1-3H3,(H,24,25)/b17-12+