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

Systemtic Name: [4-(tert-butylcarbamothioyl)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-3-yl] methanesulfonate Openeye Name: [4-(tert-butylcarbamothioyl)-6-cyano-2,2-dimethyl-chroman-3-yl] methanesulfonate CAS Name: methanesulfonic acid [4-[(tert-butylamino)-sulfanylidenemethyl]-6-cyano-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [4-(tert-butylcarbamothioyl)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [4-(tert-butylthiocarbamoyl)-6-cyano-2,2-dimethyl-chroman-3-yl] ester Formula: C18H24N2O4S2 MolecularWeight: 396.52416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4S2/c1-17(2,3)20-16(25)14-12-9-11(10-19)7-8-13(12)23-18(4,5)15(14)24-26(6,21)22/h7-9,14-15H,1-6H3,(H,20,25)