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

Systemtic Name: N-[(2S)-1-[(3,4-dimethoxyphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-[(3,4-dimethoxyphenyl)carbamoyl]-3-methylsulfanyl-propyl]furan-2-carboxamide CAS Name: N-[(2S)-1-(3,4-dimethoxyanilino)-4-(methylthio)-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-(3,4-dimethoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-[(3,4-dimethoxyphenyl)carbamoyl]-3-(methylthio)propyl]-2-furamide Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC=CO2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)C2=CC=CO2)OC

InChI

InChI=1S/C18H22N2O5S/c1-23-14-7-6-12(11-16(14)24-2)19-17(21)13(8-10-26-3)20-18(22)15-5-4-9-25-15/h4-7,9,11,13H,8,10H2,1-3H3,(H,19,21)(H,20,22)/t13-/m0/s1