3-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-6,6-dimethyl-oxane-2,4-dione

Systemtic Name: 3-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-6,6-dimethyl-oxane-2,4-dione Openeye Name: 3-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-6,6-dimethyl-tetrahydropyran-2,4-dione CAS Name: 3-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-6,6-dimethyloxane-2,4-dione IUPAC Name: 3-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-6,6-dimethyloxane-2,4-dione Traditional Name: 3-[(4-amino-2-tert-butyl-5-methyl-phenyl)thio]-6,6-dimethyl-tetrahydropyran-2,4-quinone Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2C(=O)CC(OC2=O)(C)C)C(C)(C)C)N

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2C(=O)CC(OC2=O)(C)C)C(C)(C)C)N

InChI

InChI=1S/C18H25NO3S/c1-10-7-14(11(8-12(10)19)17(2,3)4)23-15-13(20)9-18(5,6)22-16(15)21/h7-8,15H,9,19H2,1-6H3