[6-cyano-2,2-dimethyl-4-(methylcarbamothioyl)-3,4-dihydrochromen-3-yl] methanesulfonate

Systemtic Name: [6-cyano-2,2-dimethyl-4-(methylcarbamothioyl)-3,4-dihydrochromen-3-yl] methanesulfonate Openeye Name: [6-cyano-2,2-dimethyl-4-(methylcarbamothioyl)chroman-3-yl] methanesulfonate CAS Name: methanesulfonic acid [6-cyano-2,2-dimethyl-4-[methylamino(sulfanylidene)methyl]-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [6-cyano-2,2-dimethyl-4-(methylcarbamothioyl)-3,4-dihydrochromen-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [6-cyano-2,2-dimethyl-4-(methylthiocarbamoyl)chroman-3-yl] ester Formula: C15H18N2O4S2 MolecularWeight: 354.44442

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)C(=S)NC)OS(=O)(=O)C)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)C(=S)NC)OS(=O)(=O)C)C

InChI

InChI=1S/C15H18N2O4S2/c1-15(2)13(21-23(4,18)19)12(14(22)17-3)10-7-9(8-16)5-6-11(10)20-15/h5-7,12-13H,1-4H3,(H,17,22)