(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C17H20N2O6S MolecularWeight: 380.4155

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C17H20N2O6S/c1-23-11-3-4-12-10(7-15(20)25-14(12)8-11)9-24-16(21)13(5-6-26-2)19-17(18)22/h3-4,7-8,13H,5-6,9H2,1-2H3,(H3,18,19,22)/t13-/m0/s1