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3-[(1,3-benzothiazol-2-yl-methyl-carbamoyl)amino]-3-keto-propionic acid methyl ester
SpectraBase Compound ID EBrtlO4WXYW
InChI InChI=1S/C13H13N3O4S/c1-16(12(19)15-10(17)7-11(18)20-2)13-14-8-5-3-4-6-9(8)21-13/h3-6H,7H2,1-2H3,(H,15,17,19)
InChIKey MBYUTKORNPWEPG-UHFFFAOYSA-N
Mol Weight 307.32 g/mol
Molecular Formula C13H13N3O4S
Exact Mass 307.062677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7M1A9Fiq6bp
Name 3-[[1,3-benzothiazol-2-yl(methyl)carbamoyl]amino]-3-keto-propionic acid methyl ester
Alternate Name(s) 3-[[[1,3-benzothiazol-2-yl(methyl)amino]-oxomethyl]amino]-3-oxopropanoic acid methyl ester Methyl 3-({[1,3-benzothiazol-2-yl(methyl)amino]carbonyl}amino)-3-oxopropanoate Methyl 3-[[1,3-benzothiazol-2-yl(methyl)carbamoyl]amino]-3-oxidanylidene-propanoate Methyl 3-[[1,3-benzothiazol-2-yl(methyl)carbamoyl]amino]-3-oxo-propanoate
CAS Registry Number 114565-47-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O4S
InChI InChI=1S/C13H13N3O4S/c1-16(12(19)15-10(17)7-11(18)20-2)13-14-8-5-3-4-6-9(8)21-13/h3-6H,7H2,1-2H3,(H,15,17,19)
InChIKey MBYUTKORNPWEPG-UHFFFAOYSA-N
Molecular Weight 307.324 g/mol
SMILES N(C(N(c1nc2ccccc2s1)C)=O)C(CC(=O)OC)=O
SPLASH splash10-03dr-2900000000-638f486a0689251bc430
Source of Spectrum K-121-1583-23
Wiley ID 1308805