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2-[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID 8atEvGPo7Mq
InChI InChI=1S/C18H17ClN2O2S/c19-12-8-5-11(6-9-12)7-10-15(22)21-18-16(17(20)23)13-3-1-2-4-14(13)24-18/h5-10H,1-4H2,(H2,20,23)(H,21,22)/b10-7+
InChIKey FTWNEMNBTOGWDH-JXMROGBWSA-N
Mol Weight 360.86 g/mol
Molecular Formula C18H17ClN2O2S
Exact Mass 360.069927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ISwpOBQylNk
Name 2-[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Alternate Name(s) 2-[[(E)-3-(4-chlorophenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17ClN2O2S
InChI InChI=1S/C18H17ClN2O2S/c19-12-8-5-11(6-9-12)7-10-15(22)21-18-16(17(20)23)13-3-1-2-4-14(13)24-18/h5-10H,1-4H2,(H2,20,23)(H,21,22)/b10-7+
InChIKey FTWNEMNBTOGWDH-JXMROGBWSA-N
Molecular Weight 360.859 g/mol
SMILES N(C(=O)\C=C\c1ccc(cc1)Cl)c1sc2c(c1C(N)=O)CCCC2
SPLASH splash10-0gb9-5900000000-c6fb188cb103c85f7246
Wiley ID 1453418