methyl (2R)-2-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[4-(2-amino-2-oxo-ethoxy)-3-methoxy-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[4-(2-amino-2-keto-ethoxy)-3-methoxy-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NC(CCSC)C(=O)OC)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N[C@H](CCSC)C(=O)OC)OCC(=O)N

InChI

InChI=1S/C16H22N2O6S/c1-22-13-8-10(4-5-12(13)24-9-14(17)19)15(20)18-11(6-7-25-3)16(21)23-2/h4-5,8,11H,6-7,9H2,1-3H3,(H2,17,19)(H,18,20)/t11-/m1/s1