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2-[(E)-1,2-bis(1,3-benzothiazol-2-yl)-2-(5-carbethoxy-4-methyl-thiazol-2-yl)vinyl]-4-methyl-thiazole-5-carboxylic acid ethyl ester
SpectraBase Compound ID 7snBfY7aFGs
InChI InChI=1S/C30H24N4O4S4/c1-5-37-29(35)23-15(3)31-25(41-23)21(27-33-17-11-7-9-13-19(17)39-27)22(28-34-18-12-8-10-14-20(18)40-28)26-32-16(4)24(42-26)30(36)38-6-2/h7-14H,5-6H2,1-4H3/b22-21+
InChIKey KIYXEKJZYAUACA-QURGRASLSA-N
Mol Weight 632.8 g/mol
Molecular Formula C30H24N4O4S4
Exact Mass 632.06804 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1mrDp7fe2vR
Name 2-[(E)-1,2-bis(1,3-benzothiazol-2-yl)-2-(5-carbethoxy-4-methyl-thiazol-2-yl)vinyl]-4-methyl-thiazole-5-carboxylic acid ethyl ester
Alternate Name(s) 2-[(E)-1,2-bis(1,3-benzothiazol-2-yl)-2-(5-ethoxycarbonyl-4-methyl-2-thiazolyl)ethenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester ethyl 2-[(E)-1,2-bis(1,3-benzothiazol-2-yl)-2-(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)ethenyl]-4-methyl-1,3-thiazole-5-carboxylate ethyl 2-[(E)-1,2-bis(1,3-benzothiazol-2-yl)-2-(5-ethoxycarbonyl-4-methyl-thiazol-2-yl)vinyl]-4-methyl-thiazole-5-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C30H24N4O4S4
InChI InChI=1S/C30H24N4O4S4/c1-5-37-29(35)23-15(3)31-25(41-23)21(27-33-17-11-7-9-13-19(17)39-27)22(28-34-18-12-8-10-14-20(18)40-28)26-32-16(4)24(42-26)30(36)38-6-2/h7-14H,5-6H2,1-4H3/b22-21+
InChIKey KIYXEKJZYAUACA-QURGRASLSA-N
Molecular Weight 632.786 g/mol
SMILES c1(\C(=C\(c2sc(C(=O)OCC)c(n2)C)c2nc3ccccc3s2)c2nc3ccccc3s2)sc(C(=O)OCC)c(n1)C
SPLASH splash10-014i-0000092000-f747c13400cea4b6190e
Source of Spectrum J-67-5771-39
Wiley ID 1570568