Ergoline-8-carboxylic acid, 6-[[(1-oxopropyl)amino]thioxomethyl]-, methyl ester, (8.beta.)-

SpectraBase Compound ID	JGEfZ6si3pu
InChI	InChI=1S/C20H23N3O3S/c1-3-17(24)22-20(27)23-10-12(19(25)26-2)7-14-13-5-4-6-15-18(13)11(9-21-15)8-16(14)23/h4-6,9,12,14,16,21H,3,7-8,10H2,1-2H3,(H,22,24,27)/t12?,14?,16-/m1/s1
InChIKey	LDZJMZFZUQEEHB-LDZOIKDWSA-N Google Search
Mol Weight	385.48 g/mol
Molecular Formula	C20H23N3O3S
Exact Mass	385.146013 g/mol

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SpectraBase Spectrum ID	Aox2rg25mwQ
Name	Ergoline-8-carboxylic acid, 6-[[(1-oxopropyl)amino]thioxomethyl]-, methyl ester, (8.beta.)-
Alternate Name(s)	D-6-[n-propionylaminothiocarbonyl]-8-methoxycarbonylergoline Indolo[4,3-fg]quinoline, ergoline-8-carboxylic acid deriv. Methyl 6-[(propionylamino)carbothioyl]ergoline-8-carboxylate
CAS Registry Number	74345-54-3
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H23N3O3S
InChI	InChI=1S/C20H23N3O3S/c1-3-17(24)22-20(27)23-10-12(19(25)26-2)7-14-13-5-4-6-15-18(13)11(9-21-15)8-16(14)23/h4-6,9,12,14,16,21H,3,7-8,10H2,1-2H3,(H,22,24,27)/t12?,14?,16-/m1/s1
InChIKey	LDZJMZFZUQEEHB-LDZOIKDWSA-N
Molecular Weight	385.482 g/mol
SMILES	N(C(N1[C@@]2(Cc3c[nH]c4cccc(C2CC(C1)C(=O)OC)c34)[H])=S)C(=O)CC
SPLASH	splash10-0l90-0981000000-92d37905ce40760519d5
Source of Spectrum	KO-8-14-0
Wiley ID	1362191