2-[[3-(2-methylprop-2-enyl)-9-oxidanylidene-5,6,7,8-tetrahydrothiochromeno[2,3-d]imidazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[3-(2-methylprop-2-enyl)-9-oxidanylidene-5,6,7,8-tetrahydrothiochromeno[2,3-d]imidazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[3-(2-methylallyl)-9-oxo-5,6,7,8-tetrahydrothiochromeno[2,3-d]imidazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[3-(2-methylprop-2-enyl)-9-oxo-5,6,7,8-tetrahydrothiochromeno[2,3-d]imidazol-2-yl]thio]acetic acid IUPAC Name: 2-[[3-(2-methylprop-2-enyl)-9-oxo-5,6,7,8-tetrahydrothiochromeno[2,3-d]imidazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[9-keto-3-(2-methylallyl)-5,6,7,8-tetrahydrothiochromen[2,3-d]imidazol-2-yl]thio]acetic acid Formula: C16H18N2O3S2 MolecularWeight: 350.45572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(C(=O)C3=C(S2)CCCC3)N=C1SCC(=O)O

Isomeric SMILES

CC(=C)CN1C2=C(C(=O)C3=C(S2)CCCC3)N=C1SCC(=O)O

InChI

InChI=1S/C16H18N2O3S2/c1-9(2)7-18-15-13(17-16(18)22-8-12(19)20)14(21)10-5-3-4-6-11(10)23-15/h1,3-8H2,2H3,(H,19,20)