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2-Butenoic acid, 4-(5,6,7,8-tetrahydro-3-oxothiazolo[3,2-a][1,3]diazepin-2(3H)-ylidene)-, methyl ester, (Z,E)-
SpectraBase Compound ID 5e30Ny4sNVL
InChI InChI=1S/C12H14N2O3S/c1-17-10(15)6-4-5-9-11(16)14-8-3-2-7-13-12(14)18-9/h4-6H,2-3,7-8H2,1H3/b6-4-,9-5+
InChIKey ROQMUCQVYHKGLY-QUNSIMLLSA-N
Mol Weight 266.31 g/mol
Molecular Formula C12H14N2O3S
Exact Mass 266.072513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KlrM7VqH18F
Name 2-Butenoic acid, 4-(5,6,7,8-tetrahydro-3-oxothiazolo[3,2-a][1,3]diazepin-2(3H)-ylidene)-, methyl ester, (Z,E)-
Alternate Name(s) Methyl (2Z,4E)-4-(3-oxo-5,6,7,8-tetrahydro[1,3]thiazolo[3,2-a][1,3]diazepin-2(3H)-ylidene)-2-butenoate Methyl(2E,4Z)-4-(2,3,6,7,8-hexahydro-3-oxothiazolo[3,2-a]-[1,3]diazepin-2-ylidene)but-2-en-1-oate Thiazolo[3,2-a][1,3]diazepine, 2-butenoic acid deriv.
CAS Registry Number 83443-59-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N2O3S
InChI InChI=1S/C12H14N2O3S/c1-17-10(15)6-4-5-9-11(16)14-8-3-2-7-13-12(14)18-9/h4-6H,2-3,7-8H2,1H3/b6-4-,9-5+
InChIKey ROQMUCQVYHKGLY-QUNSIMLLSA-N
Molecular Weight 266.315 g/mol
SMILES C=12N(C(\C(S2)=C/C=C\C(=O)OC)=O)CCCCN1
SPLASH splash10-0cdi-3490000000-724a3555d08bd9bf0896
Source of Spectrum KC-1982-1910-0
Wiley ID 1269565