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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S/c1-9-7-13(19)10(2)12-5-6-16(4,21-14(9)12)15(20)18-8-22-11(3)17-18/h7-8H,5-6H2,1-4H3