2-Thiabicyclo[3.2.0]hepta-3,6-diene-4,6,7-tricarboxylic acid, 3-amino-, 4-ethyl 6,7-dimethyl ester

SpectraBase Compound ID	K1S9PhfdgeQ
InChI	InChI=1S/C13H15NO6S/c1-4-20-13(17)8-5-6(11(15)18-2)7(12(16)19-3)9(5)21-10(8)14/h5,9H,4,14H2,1-3H3
InChIKey	BVKZLHOSZPNQEM-UHFFFAOYSA-N Google Search
Mol Weight	313.32 g/mol
Molecular Formula	C13H15NO6S
Exact Mass	313.062008 g/mol

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SpectraBase Spectrum ID	8yRNPDGeBLE
Name	2-Thiabicyclo[3.2.0]hepta-3,6-diene-4,6,7-tricarboxylic acid, 3-amino-, 4-ethyl 6,7-dimethyl ester
CAS Registry Number	66599-28-8
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H15NO6S
InChI	InChI=1S/C13H15NO6S/c1-4-20-13(17)8-5-6(11(15)18-2)7(12(16)19-3)9(5)21-10(8)14/h5,9H,4,14H2,1-3H3
InChIKey	BVKZLHOSZPNQEM-UHFFFAOYSA-N
Molecular Weight	313.324 g/mol
SMILES	NC1=C(C2C(C(OC)=O)=C(C(OC)=O)C2S1)C(OCC)=O
SPLASH	splash10-00b9-1941000000-11f95cb5de0887cb78d4
Source of Spectrum	K-111-777-0
Synonyms	4-Ethyl 6,7-dimethyl 3-amino-2-thiabicyclo[3.2.0]hepta-3,6-diene-4,6,7-tricarboxylate 2-O-ethyl 6-O,7-O-dimethyl 3-amino-4-thiabicyclo[3.2.0]hepta-2,6-diene-2,6,7-tricarboxylate 3-Amino-4-thiabicyclo[3.2.0]hepta-2,6-diene-2,6,7-tricarboxylic acid O2-ethyl ester O6,O7-dimethyl ester O2-ethyl O6,O7-dimethyl 3-amino-4-thiabicyclo[3.2.0]hepta-2,6-diene-2,6,7-tricarboxylate O2-ethyl O6,O7-dimethyl 3-azanyl-4-thiabicyclo[3.2.0]hepta-2,6-diene-2,6,7-tricarboxylate
Wiley ID	1314053