(3-oxidanylidenebenzo[f]chromen-1-yl)methyl (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)OCC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2)NC(=O)N

InChI

InChI=1S/C20H20N2O5S/c1-28-9-8-15(22-20(21)25)19(24)26-11-13-10-17(23)27-16-7-6-12-4-2-3-5-14(12)18(13)16/h2-7,10,15H,8-9,11H2,1H3,(H3,21,22,25)/t15-/m1/s1