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

Systemtic Name: 2,5,7,8-tetramethyl-2-[(5-methyl-1,3,4-thiadiazol-3-ium-3-yl)carbonyl]-3,4-dihydrochromen-6-olate Openeye Name: 2,5,7,8-tetramethyl-2-(5-methyl-1,3,4-thiadiazol-3-ium-3-carbonyl)chroman-6-olate CAS Name: 2,5,7,8-tetramethyl-2-[(5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-oxomethyl]-3,4-dihydro-2H-1-benzopyran-6-olate IUPAC Name: 2,5,7,8-tetramethyl-2-(5-methyl-1,3,4-thiadiazol-3-ium-3-carbonyl)-3,4-dihydrochromen-6-olate Traditional Name: 2,5,7,8-tetramethyl-2-(5-methyl-1,3,4-thiadiazol-3-ium-3-carbonyl)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)[N+]3=CSC(=N3)C)C)[O-]

Isomeric SMILES

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

InChI

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