2-[[3-(3-tert-butyl-4-oxidanyl-thiophen-2-yl)carbonylphenyl]methyl-methyl-amino]ethyl ethanoate

Systemtic Name: 2-[[3-(3-tert-butyl-4-oxidanyl-thiophen-2-yl)carbonylphenyl]methyl-methyl-amino]ethyl ethanoate Openeye Name: 2-[[3-(3-tert-butyl-4-hydroxy-thiophene-2-carbonyl)phenyl]methyl-methyl-amino]ethyl acetate CAS Name: acetic acid 2-[[3-[(3-tert-butyl-4-hydroxy-2-thiophenyl)-oxomethyl]phenyl]methyl-methylamino]ethyl ester IUPAC Name: 2-[[3-(3-tert-butyl-4-hydroxythiophene-2-carbonyl)phenyl]methyl-methylamino]ethyl acetate Traditional Name: acetic acid 2-[[3-(3-tert-butyl-4-hydroxy-thiophene-2-carbonyl)benzyl]-methyl-amino]ethyl ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN(C)CC1=CC=CC(=C1)C(=O)C2=C(C(=CS2)O)C(C)(C)C

Isomeric SMILES

CC(=O)OCCN(C)CC1=CC=CC(=C1)C(=O)C2=C(C(=CS2)O)C(C)(C)C

InChI

InChI=1S/C21H27NO4S/c1-14(23)26-10-9-22(5)12-15-7-6-8-16(11-15)19(25)20-18(21(2,3)4)17(24)13-27-20/h6-8,11,13,24H,9-10,12H2,1-5H3