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ethyl 2-{[(phenylsulfanyl)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

View entire compound with spectra: 2 NMR

ethyl 2-{[(phenylsulfanyl)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID 7uVcH8ALcQH
InChI InChI=1S/C18H19NO3S2/c1-2-22-18(21)16-13-9-6-10-14(13)24-17(16)19-15(20)11-23-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,19,20)
InChIKey BPDLGAKSYVTRST-UHFFFAOYSA-N
Mol Weight 361.47 g/mol
Molecular Formula C18H19NO3S2
Exact Mass 361.080636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F4OVsaaz1IV
Name Ethyl 2-{[(phenylsulfanyl)acetyl]amino}-5,6-dihydro-4H-cyclopenta[B]thiophene-3-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 361.080635821 u
Formula C18H19NO3S2
InChI InChI=1S/C18H19NO3S2/c1-2-22-18(21)16-13-9-6-10-14(13)24-17(16)19-15(20)11-23-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,19,20)
InChIKey BPDLGAKSYVTRST-UHFFFAOYSA-N
Molecular Weight 361.474 g/mol
SMILES N(C1=C(C=2CCCC2S1)C(=O)OCC)C(=O)CSC=1C=CC=CC1