ethyl 4-azanyl-3-(2,3-dimethyl-3-oxidanyl-butan-2-yl)sulfanyl-benzoate

Systemtic Name: ethyl 4-azanyl-3-(2,3-dimethyl-3-oxidanyl-butan-2-yl)sulfanyl-benzoate Openeye Name: ethyl 4-amino-3-(2-hydroxy-1,1,2-trimethyl-propyl)sulfanyl-benzoate CAS Name: 4-amino-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)thio]benzoic acid ethyl ester IUPAC Name: ethyl 4-amino-3-(3-hydroxy-2,3-dimethylbutan-2-yl)sulfanylbenzoate Traditional Name: 4-amino-3-[(2-hydroxy-1,1,2-trimethyl-propyl)thio]benzoic acid ethyl ester Formula: C15H23NO3S MolecularWeight: 297.41302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N)SC(C)(C)C(C)(C)O

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N)SC(C)(C)C(C)(C)O

InChI

InChI=1S/C15H23NO3S/c1-6-19-13(17)10-7-8-11(16)12(9-10)20-15(4,5)14(2,3)18/h7-9,18H,6,16H2,1-5H3