alanine, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-, ethyl ester

SpectraBase Compound ID	1lLW9npdV9q
InChI	InChI=1S/C18H22F3N3O4S/c1-3-27-15(25)17(18(19,20)21,24-16(26)28-4-2)23-14-12(10-22)11-8-6-5-7-9-13(11)29-14/h23H,3-9H2,1-2H3,(H,24,26)
InChIKey	HZLZDJCCAHCOFB-UHFFFAOYSA-N Google Search
Mol Weight	433.45 g/mol
Molecular Formula	C18H22F3N3O4S
Exact Mass	433.128312 g/mol

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SpectraBase Spectrum ID	IMjHC6cjz0l
Name	Propanoic acid, 2-(5,6,7,8-tetrahydro-3-cyano-4H-cyclohepta[b]thien-2-ylamino)-2-ethoxycarbonylamino-3,3,3-trifluoro-, ethyl ester
Alternate Name(s)	2-(carbethoxyamino)-2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3,3,3-trifluoro-propionic acid ethyl ester 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoic acid ethyl ester Ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)amino]-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate Ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-(ethoxycarbonylamino)-3,3,3-trifluoro-propanoate Ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-(ethoxycarbonylamino)-3,3,3-tris(fluoranyl)propanoate
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Formula	C18H22F3N3O4S
InChI	InChI=1S/C18H22F3N3O4S/c1-3-27-15(25)17(18(19,20)21,24-16(26)28-4-2)23-14-12(10-22)11-8-6-5-7-9-13(11)29-14/h23H,3-9H2,1-2H3,(H,24,26)
InChIKey	HZLZDJCCAHCOFB-UHFFFAOYSA-N
Molecular Weight	433.446 g/mol
SMILES	N(c1c(c2CCCCCc2s1)C#N)C(NC(=O)OCC)(C(F)(F)F)C(=O)OCC
SPLASH	splash10-0006-1910000000-58a5d2eef3a93e0fc2a4
Wiley ID	1455515