Methyl (2S,5R,7S)-1-aza-7-benzyloxycarbonylamino-8-oxo-4-thiabicylo[3.3.0]octane-2-carboxylate

SpectraBase Compound ID	GBJd6y3Rwl0
InChI	InChI=1S/C16H18N2O5S/c1-22-15(20)12-9-24-13-7-11(14(19)18(12)13)17-16(21)23-8-10-5-3-2-4-6-10/h2-6,11-13H,7-9H2,1H3,(H,17,21)/t11-,12+,13+/m0/s1
InChIKey	SIMGGGUGDLVJKI-YNEHKIRRSA-N Google Search
Mol Weight	350.39 g/mol
Molecular Formula	C16H18N2O5S
Exact Mass	350.093643 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	EP5zMonbAau
Name	Methyl (2S,5R,7S)-1-aza-7-benzyloxycarbonylamino-8-oxo-4-thiabicylo[3.3.0]octane-2-carboxylate
Alternate Name(s)	(3S,6S,7aR)-5-oxo-6-(phenylmethoxycarbonylamino)-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b]thiazole-3-carboxylic acid methyl ester (3S,6S,7aR)-6-(benzyloxycarbonylamino)-5-keto-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b]thiazole-3-carboxylic acid methyl ester Methyl (3S,6S,7aR)-5-oxo-6-(phenylmethoxycarbonylamino)-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazole-3-carboxylate Methyl (3S,6S,7aR)-5-oxidanylidene-6-(phenylmethoxycarbonylamino)-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazole-3-carboxylate Methyl (3S,6S,7aR)-6-(benzyloxycarbonylamino)-5-oxo-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b]thiazole-3-carboxylate
CAS Registry Number	109317-07-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H18N2O5S
InChI	InChI=1S/C16H18N2O5S/c1-22-15(20)12-9-24-13-7-11(14(19)18(12)13)17-16(21)23-8-10-5-3-2-4-6-10/h2-6,11-13H,7-9H2,1H3,(H,17,21)/t11-,12+,13+/m0/s1
InChIKey	SIMGGGUGDLVJKI-YNEHKIRRSA-N
Molecular Weight	350.389 g/mol
SMILES	N(C(=O)OCc1ccccc1)[C@@]1(C(N2[C@@](C1)(SC[C@@]2(C(=O)OC)[H])[H])=O)[H]
SPLASH	splash10-0006-9110000000-598a6f4fd69f1ea37de2
Source of Spectrum	F-45-4543-12
Wiley ID	1341750