2-[(2,5-dimethyl-1,3,4-thiadiazol-3-ium-3-yl)carbonyl]-2,5,8-trimethyl-3,4-dihydrochromen-6-olate

Systemtic Name: 2-[(2,5-dimethyl-1,3,4-thiadiazol-3-ium-3-yl)carbonyl]-2,5,8-trimethyl-3,4-dihydrochromen-6-olate Openeye Name: 2-(2,5-dimethyl-1,3,4-thiadiazol-3-ium-3-carbonyl)-2,5,8-trimethyl-chroman-6-olate CAS Name: 2-[(2,5-dimethyl-1,3,4-thiadiazol-3-ium-3-yl)-oxomethyl]-2,5,8-trimethyl-3,4-dihydro-2H-1-benzopyran-6-olate IUPAC Name: 2-(2,5-dimethyl-1,3,4-thiadiazol-3-ium-3-carbonyl)-2,5,8-trimethyl-3,4-dihydrochromen-6-olate Traditional Name: 2-(2,5-dimethyl-1,3,4-thiadiazol-3-ium-3-carbonyl)-2,5,8-trimethyl-chroman-6-olate Formula: C17H20N2O3S MolecularWeight: 332.4173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1OC(CC2)(C)C(=O)[N+]3=C(SC(=N3)C)C)C)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1OC(CC2)(C)C(=O)[N+]3=C(SC(=N3)C)C)C)[O-]

InChI

InChI=1S/C17H20N2O3S/c1-9-8-14(20)10(2)13-6-7-17(5,22-15(9)13)16(21)19-12(4)23-11(3)18-19/h8H,6-7H2,1-5H3