ethyl 2-[[(2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]oxymethyl]furan-3-carboxylate

Systemtic Name: ethyl 2-[[(2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]oxymethyl]furan-3-carboxylate Openeye Name: ethyl 2-[[(2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoyl]oxymethyl]furan-3-carboxylate CAS Name: 2-[[(2S)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutoxy]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoyl]oxymethyl]furan-3-carboxylate Traditional Name: 2-[[(2S)-4-(methylthio)-2-(m-toluoylamino)butanoyl]oxymethyl]furan-3-carboxylic acid ethyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)COC(=O)C(CCSC)NC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)COC(=O)[C@H](CCSC)NC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C21H25NO6S/c1-4-26-20(24)16-8-10-27-18(16)13-28-21(25)17(9-11-29-3)22-19(23)15-7-5-6-14(2)12-15/h5-8,10,12,17H,4,9,11,13H2,1-3H3,(H,22,23)/t17-/m0/s1