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Ethyl 2-(benzoylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID DWmIqhvi42B
InChI InChI=1S/C18H17NO4S/c1-2-23-18(22)14-12-9-6-10-13(20)15(12)24-17(14)19-16(21)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,19,21)
InChIKey NBNLUHIYAIKQIO-UHFFFAOYSA-N
Mol Weight 343.4 g/mol
Molecular Formula C18H17NO4S
Exact Mass 343.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NNyvnfuz1n
Name Ethyl 2-(benzoylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Alternate Name(s) 2-Benzamido-7-keto-5,6-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester 2-Benzamido-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-benzoylamino-7-oxo-, ethyl ester Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-benzoylamino-7-oxo-, ethyl ester Ethyl 2-benzamido-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Ethyl 2-benzamido-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Ethyl 2-benzamido-7-oxo-5,6-dihydro-4H-benzothiophene-3-carboxylate
CAS Registry Number 96334-43-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO4S
InChI InChI=1S/C18H17NO4S/c1-2-23-18(22)14-12-9-6-10-13(20)15(12)24-17(14)19-16(21)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,19,21)
InChIKey NBNLUHIYAIKQIO-UHFFFAOYSA-N
Molecular Weight 343.397 g/mol
SMILES N(C(=O)c1ccccc1)c1sc2C(CCCc2c1C(OCC)=O)=O
SPLASH splash10-0a4i-6900000000-7fcb6c6ee07655983dda
Source of Spectrum AD-0-2532-0
Wiley ID 1423251