N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-[2-(3,4-dimethoxyphenyl)ethyl-methyl-carbamoyl]-3-methylsulfanyl-propyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-4-(methylthio)-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-[homoveratryl(methyl)carbamoyl]-3-(methylthio)propyl]-2-furamide Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C(CCSC)NC(=O)C2=CC=CO2

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)[C@H](CCSC)NC(=O)C2=CC=CO2

InChI

InChI=1S/C21H28N2O5S/c1-23(11-9-15-7-8-17(26-2)19(14-15)27-3)21(25)16(10-13-29-4)22-20(24)18-6-5-12-28-18/h5-8,12,14,16H,9-11,13H2,1-4H3,(H,22,24)/t16-/m0/s1