propan-2-yl 4-[[(2S)-2-(furan-2-ylcarbonylamino)-4-methylsulfanyl-butanoyl]amino]benzoate

Systemtic Name: propan-2-yl 4-[[(2S)-2-(furan-2-ylcarbonylamino)-4-methylsulfanyl-butanoyl]amino]benzoate Openeye Name: isopropyl 4-[[(2S)-2-(furan-2-carbonylamino)-4-methylsulfanyl-butanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-[[2-furanyl(oxo)methyl]amino]-4-(methylthio)-1-oxobutyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[(2S)-2-(furan-2-carbonylamino)-4-methylsulfanylbutanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-(2-furoylamino)-4-(methylthio)butanoyl]amino]benzoic acid isopropyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S/c1-13(2)27-20(25)14-6-8-15(9-7-14)21-18(23)16(10-12-28-3)22-19(24)17-5-4-11-26-17/h4-9,11,13,16H,10,12H2,1-3H3,(H,21,23)(H,22,24)/t16-/m0/s1