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Ethyl 2-amino-5-[(benzylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
SpectraBase Compound ID 9M5xn6qtg6B
InChI InChI=1S/C16H18N2O3S/c1-3-21-16(20)12-10(2)13(22-14(12)17)15(19)18-9-11-7-5-4-6-8-11/h4-8H,3,9,17H2,1-2H3,(H,18,19)
InChIKey XGNWDFWCJZXUQG-UHFFFAOYSA-N
Mol Weight 318.39 g/mol
Molecular Formula C16H18N2O3S
Exact Mass 318.103814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KOgef3dDDm1
Name Ethyl 2-amino-5-[(benzylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
Alternate Name(s) 2-Amino-4-methyl-5-[oxo-[(phenylmethyl)amino]methyl]-3-thiophenecarboxylic acid ethyl ester 2-Amino-5-(benzylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid ethyl ester Ethyl 2-amino-5-(benzylcarbamoyl)-4-methyl-thiophene-3-carboxylate Ethyl 2-azanyl-4-methyl-5-[(phenylmethyl)carbamoyl]thiophene-3-carboxylate
CAS Registry Number 282104-75-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O3S
InChI InChI=1S/C16H18N2O3S/c1-3-21-16(20)12-10(2)13(22-14(12)17)15(19)18-9-11-7-5-4-6-8-11/h4-8H,3,9,17H2,1-2H3,(H,18,19)
InChIKey XGNWDFWCJZXUQG-UHFFFAOYSA-N
Molecular Weight 318.391 g/mol
SMILES N(C(c1c(c(c(s1)N)C(=O)OCC)C)=O)Cc1ccccc1
SPLASH splash10-014r-2925000000-6d9a3b4bb5d1b8f3e05d
Wiley ID 1460801