methyl N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-N-methyl-carbamodithioate

Systemtic Name: methyl N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-N-methyl-carbamodithioate Openeye Name: methyl N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-N-methyl-carbamodithioate CAS Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-N-methylcarbamodithioic acid methyl ester IUPAC Name: methyl N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylcarbamodithioate Traditional Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-N-methyl-carbamodithioic acid methyl ester Formula: C15H18N2O2S2 MolecularWeight: 322.44562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2S2/c1-15(2)13(18)12(17(3)14(20)21-4)10-7-9(8-16)5-6-11(10)19-15/h5-7,12-13,18H,1-4H3