methyl (2R)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-furan-3-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-furan-3-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-furan-3-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-furanyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-furoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C2=CC3=C(C=C2)OCCO3)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)C2=CC3=C(C=C2)OCCO3)C(=O)N[C@H](CCSC)C(=O)OC

InChI

InChI=1S/C20H23NO6S/c1-12-14(19(22)21-15(6-9-28-3)20(23)24-2)11-17(27-12)13-4-5-16-18(10-13)26-8-7-25-16/h4-5,10-11,15H,6-9H2,1-3H3,(H,21,22)/t15-/m1/s1