4H-1-Benzopyran-3-carboxylic acid, 2-amino-4-[5-(1H-1,3-benzimidazol-1-ylmethyl)-3-thienyl]-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-, methyl ester

SpectraBase Compound ID	DvEKbt2gVQk
InChI	InChI=1S/C25H25N3O4S/c1-25(2)9-18(29)21-19(10-25)32-23(26)22(24(30)31-3)20(21)14-8-15(33-12-14)11-28-13-27-16-6-4-5-7-17(16)28/h4-8,12-13,20H,9-11,26H2,1-3H3
InChIKey	IWBZROHPYZVIFH-UHFFFAOYSA-N Google Search
Mol Weight	463.55 g/mol
Molecular Formula	C25H25N3O4S
Exact Mass	463.156577 g/mol

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SpectraBase Spectrum ID	LR4mCktbOX0
Name	4H-1-Benzopyran-3-carboxylic acid, 2-amino-4-[5-(1H-1,3-benzimidazol-1-ylmethyl)-3-thienyl]-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-, methyl ester
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H25N3O4S
InChI	InChI=1S/C25H25N3O4S/c1-25(2)9-18(29)21-19(10-25)32-23(26)22(24(30)31-3)20(21)14-8-15(33-12-14)11-28-13-27-16-6-4-5-7-17(16)28/h4-8,12-13,20H,9-11,26H2,1-3H3
InChIKey	IWBZROHPYZVIFH-UHFFFAOYSA-N
Molecular Weight	463.552 g/mol
SMILES	NC1=C(C(C2=C(O1)CC(CC2=O)(C)C)c1csc(c1)C[n]1cnc2c1cccc2)C(OC)=O
SPLASH	splash10-0a4i-4492000000-7a53c47c75a8eafe146c
Source of Spectrum	IY-2-5042-9
Synonyms	Methyl 2-amino-4-[5-(1H-1,3-benzodiazol-1-ylmethyl)thiophen-3-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate 2-Amino-4-[5-(1-benzimidazolylmethyl)-3-thiophenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid methyl ester Methyl 2-amino-4-[5-(benzimidazol-1-ylmethyl)thiophen-3-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Methyl 2-amino-4-[5-(benzimidazol-1-ylmethyl)-3-thienyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Methyl 2-azanyl-4-[5-(benzimidazol-1-ylmethyl)thiophen-3-yl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate
Wiley ID	1658412