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Methyl 4,5-dimethyl-2-[(3-toluidinocarbothioyl)amino]-3-thiophenecarboxylate

View entire compound with spectra: 2 NMR

Methyl 4,5-dimethyl-2-[(3-toluidinocarbothioyl)amino]-3-thiophenecarboxylate
SpectraBase Compound ID 22QChjnDLUh
InChI InChI=1S/C16H18N2O2S2/c1-9-6-5-7-12(8-9)17-16(21)18-14-13(15(19)20-4)10(2)11(3)22-14/h5-8H,1-4H3,(H2,17,18,21)
InChIKey ZHLNDEIJRLOYSK-UHFFFAOYSA-N
Mol Weight 334.45 g/mol
Molecular Formula C16H18N2O2S2
Exact Mass 334.08097 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ocNsMsUyIe
Name Methyl 4,5-dimethyl-2-[(3-toluidinocarbothioyl)amino]-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 334.080970174 u
Formula C16H18N2O2S2
InChI InChI=1S/C16H18N2O2S2/c1-9-6-5-7-12(8-9)17-16(21)18-14-13(15(19)20-4)10(2)11(3)22-14/h5-8H,1-4H3,(H2,17,18,21)
InChIKey ZHLNDEIJRLOYSK-UHFFFAOYSA-N
Molecular Weight 334.452 g/mol
SMILES N(C1=C(C(C)=C(S1)C)C(=O)OC)C(NC=1C=C(C)C=CC1)=S