methyl 4-[[(2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[(2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]oxymethyl]benzoate Openeye Name: methyl 4-[[(2S)-4-methylsulfanyl-2-ureido-butanoyl]oxymethyl]benzoate CAS Name: 4-[[(2S)-2-(carbamoylamino)-4-(methylthio)-1-oxobutoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-(carbamoylamino)-4-methylsulfanylbutanoyl]oxymethyl]benzoate Traditional Name: 4-[[(2S)-4-(methylthio)-2-ureido-butanoyl]oxymethyl]benzoic acid methyl ester Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O5S/c1-21-13(18)11-5-3-10(4-6-11)9-22-14(19)12(7-8-23-2)17-15(16)20/h3-6,12H,7-9H2,1-2H3,(H3,16,17,20)/t12-/m0/s1