For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-[(4-chlorobenzoyl)amino]-7-hydroxy-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid ethyl ester
SpectraBase Compound ID QikO84lOOR
InChI InChI=1S/C18H18ClNO4S/c1-2-24-18(23)16-14(12-4-3-5-13(21)15(12)25-16)20-17(22)10-6-8-11(19)9-7-10/h6-9,13,21H,2-5H2,1H3,(H,20,22)
InChIKey VEIYROAJOUXNDQ-UHFFFAOYSA-N
Mol Weight 379.86 g/mol
Molecular Formula C18H18ClNO4S
Exact Mass 379.064507 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 40clnzZfq6E
Name 3-[(4-chlorobenzoyl)amino]-7-hydroxy-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18ClNO4S
InChI InChI=1S/C18H18ClNO4S/c1-2-24-18(23)16-14(12-4-3-5-13(21)15(12)25-16)20-17(22)10-6-8-11(19)9-7-10/h6-9,13,21H,2-5H2,1H3,(H,20,22)
InChIKey VEIYROAJOUXNDQ-UHFFFAOYSA-N
Molecular Weight 379.858 g/mol
SMILES OC1c2sc(c(c2CCC1)NC(c1ccc(cc1)Cl)=O)C(=O)OCC
SPLASH splash10-01p9-4901000000-6f7493b538b45df65b46
Synonyms 3-[[(4-chlorophenyl)-oxomethyl]amino]-7-hydroxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid ethyl ester Ethyl 3-[(4-chlorobenzoyl)amino]-7-hydroxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Ethyl 3-[(4-chlorobenzoyl)amino]-7-hydroxy-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate Ethyl 3-[(4-chlorophenyl)carbonylamino]-7-oxidanyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
Wiley ID 1453636