(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C15H19ClN2O5S MolecularWeight: 374.83976

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=C2C(=CC(=C1)Cl)COCO2)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)OCC1=C2C(=CC(=C1)Cl)COCO2)NC(=O)N

InChI

InChI=1S/C15H19ClN2O5S/c1-24-3-2-12(18-15(17)20)14(19)22-7-10-5-11(16)4-9-6-21-8-23-13(9)10/h4-5,12H,2-3,6-8H2,1H3,(H3,17,18,20)/t12-/m1/s1