[(2S)-1-[[2,5-bis(methoxycarbonyl)phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[[2,5-bis(methoxycarbonyl)phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[2,5-bis(methoxycarbonyl)anilino]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[2,5-bis(methoxycarbonyl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(2,5-dicarbomethoxyphenyl)carbamoyl]-3-(methylthio)propyl]ammonium Formula: C15H21N2O5S+ MolecularWeight: 341.40264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C(CCSC)[NH3+]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)[C@H](CCSC)[NH3+]

InChI

InChI=1S/C15H20N2O5S/c1-21-14(19)9-4-5-10(15(20)22-2)12(8-9)17-13(18)11(16)6-7-23-3/h4-5,8,11H,6-7,16H2,1-3H3,(H,17,18)/p+1/t11-/m0/s1