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Benzenepropanoic acid, .beta.-[[(2,3-dihydro-3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]amino]-3-nitro-, ethyl ester
SpectraBase Compound ID 92pjWYZcmnY
InChI InChI=1S/C19H19N3O7S2/c1-3-29-18(23)11-15(12-5-4-6-13(9-12)22(25)26)20-31(27,28)14-7-8-16-17(10-14)30-19(24)21(16)2/h4-10,15,20H,3,11H2,1-2H3
InChIKey VWPBKGTWIUCHCB-UHFFFAOYSA-N
Mol Weight 465.5 g/mol
Molecular Formula C19H19N3O7S2
Exact Mass 465.066442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fr3drjGCFkF
Name Benzenepropanoic acid, .beta.-[[(2,3-dihydro-3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]amino]-3-nitro-, ethyl ester
Alternate Name(s) 3-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-3-(3-nitrophenyl)propanoic acid ethyl ester Ethyl 3-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-3-(3-nitrophenyl)propanoate Ethyl 3-[(3-methyl-2-oxidanylidene-1,3-benzothiazol-6-yl)sulfonylamino]-3-(3-nitrophenyl)propanoate
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Formula C19H19N3O7S2
InChI InChI=1S/C19H19N3O7S2/c1-3-29-18(23)11-15(12-5-4-6-13(9-12)22(25)26)20-31(27,28)14-7-8-16-17(10-14)30-19(24)21(16)2/h4-10,15,20H,3,11H2,1-2H3
InChIKey VWPBKGTWIUCHCB-UHFFFAOYSA-N
Molecular Weight 465.495 g/mol
SMILES N(S(c1cc2SC(=O)N(c2cc1)C)(=O)=O)C(CC(=O)OCC)c1cc(N(=O)=O)ccc1
SPLASH splash10-01ri-5950000000-8fb4f595b605e93ee87d
Source of Spectrum IY-1-4624-9
Wiley ID 1654232