2,5,7,8-tetramethyl-2-[2-(1,3,4-thiadiazol-3-ium-3-yl)ethanoyl]-3,4-dihydrochromen-6-olate

Systemtic Name: 2,5,7,8-tetramethyl-2-[2-(1,3,4-thiadiazol-3-ium-3-yl)ethanoyl]-3,4-dihydrochromen-6-olate Openeye Name: 2,5,7,8-tetramethyl-2-[2-(1,3,4-thiadiazol-3-ium-3-yl)acetyl]chroman-6-olate CAS Name: 2,5,7,8-tetramethyl-2-[1-oxo-2-(1,3,4-thiadiazol-3-ium-3-yl)ethyl]-3,4-dihydro-2H-1-benzopyran-6-olate IUPAC Name: 2,5,7,8-tetramethyl-2-[2-(1,3,4-thiadiazol-3-ium-3-yl)acetyl]-3,4-dihydrochromen-6-olate Traditional Name: 2,5,7,8-tetramethyl-2-[2-(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=C(C(=C2CCC(OC2=C1C)(C)C(=O)C[N+]3=CSC=N3)C)[O-]

Isomeric SMILES

CC1=C(C(=C2CCC(OC2=C1C)(C)C(=O)C[N+]3=CSC=N3)C)[O-]

InChI

InChI=1S/C17H20N2O3S/c1-10-11(2)16-13(12(3)15(10)21)5-6-17(4,22-16)14(20)7-19-9-23-8-18-19/h8-9H,5-7H2,1-4H3