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

Systemtic Name: 2,5,8-trimethyl-2-[2-(1,3,4-thiadiazol-3-ium-3-yl)ethanoyl]-3,4-dihydrochromen-6-olate Openeye Name: 2,5,8-trimethyl-2-[2-(1,3,4-thiadiazol-3-ium-3-yl)acetyl]chroman-6-olate CAS Name: 2,5,8-trimethyl-2-[1-oxo-2-(1,3,4-thiadiazol-3-ium-3-yl)ethyl]-3,4-dihydro-2H-1-benzopyran-6-olate IUPAC Name: 2,5,8-trimethyl-2-[2-(1,3,4-thiadiazol-3-ium-3-yl)acetyl]-3,4-dihydrochromen-6-olate Traditional Name: 2,5,8-trimethyl-2-[2-(1,3,4-thiadiazol-3-ium-3-yl)acetyl]chroman-6-olate Formula: C16H18N2O3S MolecularWeight: 318.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S/c1-10-6-13(19)11(2)12-4-5-16(3,21-15(10)12)14(20)7-18-9-22-8-17-18/h6,8-9H,4-5,7H2,1-3H3