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1,4-Thiazepane-3-carboxylic acid, 2,2-dimethyl-5-oxo-6-[(2-phenylacetyl)amino]-, methyl ester
SpectraBase Compound ID 7FgOPpQDJEL
InChI InChI=1S/C17H22N2O4S/c1-17(2)14(16(22)23-3)19-15(21)12(10-24-17)18-13(20)9-11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKey BFWUQXLUBXOGTD-UHFFFAOYSA-N
Mol Weight 350.43 g/mol
Molecular Formula C17H22N2O4S
Exact Mass 350.130028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BY4rGppLFs6
Name 1,4-Thiazepane-3-carboxylic acid, 2,2-dimethyl-5-oxo-6-[(2-phenylacetyl)amino]-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O4S
InChI InChI=1S/C17H22N2O4S/c1-17(2)14(16(22)23-3)19-15(21)12(10-24-17)18-13(20)9-11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKey BFWUQXLUBXOGTD-UHFFFAOYSA-N
Molecular Weight 350.433 g/mol
SMILES N1C(C(NC(=O)Cc2ccccc2)CSC(C1C(=O)OC)(C)C)=O
SPLASH splash10-014l-7921000000-7d221669f9f2228f6ec0
Synonyms 2,2-Dimethyl-5-oxo-6-[(1-oxo-2-phenylethyl)amino]-1,4-thiazepane-3-carboxylic acid methyl ester 5-keto-2,2-dimethyl-6-[(2-phenylacetyl)amino]-1,4-thiazepane-3-carboxylic acid methyl ester Methyl 2,2-dimethyl-5-oxidanylidene-6-(2-phenylethanoylamino)-1,4-thiazepane-3-carboxylate Methyl 2,2-dimethyl-5-oxo-6-[(2-phenylacetyl)amino]-1,4-thiazepane-3-carboxylate Methyl 2,2-dimethyl-5-oxo-6-[(phenylacetyl)amino]-1,4-thiazepane-3-carboxylate
Wiley ID 1477295