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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3S/c1-10-7-14(20)11(2)13-5-6-17(4,22-16(10)13)15(21)8-19-9-23-12(3)18-19/h7,9H,5-6,8H2,1-4H3