2-azanyl-2-(4-chloranyl-2-methyl-phenoxy)-3,3-dimethyl-4-oxidanylidene-hexanethioic S-acid

Systemtic Name: 2-azanyl-2-(4-chloranyl-2-methyl-phenoxy)-3,3-dimethyl-4-oxidanylidene-hexanethioic S-acid Openeye Name: 2-amino-2-(4-chloro-2-methyl-phenoxy)-3,3-dimethyl-4-oxo-hexanethioic S-acid CAS Name: 2-amino-2-(4-chloro-2-methylphenoxy)-3,3-dimethyl-4-oxohexanethioic S-acid IUPAC Name: 2-amino-2-(4-chloro-2-methylphenoxy)-3,3-dimethyl-4-oxohexanethioic S-acid Traditional Name: 2-amino-2-(4-chloro-2-methyl-phenoxy)-4-keto-3,3-dimethyl-hexanethioic S-acid Formula: C15H20ClNO3S MolecularWeight: 329.8422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)(C)C(C(=O)S)(N)OC1=C(C=C(C=C1)Cl)C

Isomeric SMILES

CCC(=O)C(C)(C)C(C(=O)S)(N)OC1=C(C=C(C=C1)Cl)C

InChI

InChI=1S/C15H20ClNO3S/c1-5-12(18)14(3,4)15(17,13(19)21)20-11-7-6-10(16)8-9(11)2/h6-8H,5,17H2,1-4H3,(H,19,21)