methyl (2S)-2-[[3-(4-methoxyphenyl)thiomorpholin-4-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[3-(4-methoxyphenyl)thiomorpholin-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[3-(4-methoxyphenyl)thiomorpholine-4-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[3-(4-methoxyphenyl)-4-thiomorpholinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-(4-methoxyphenyl)thiomorpholine-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[3-(4-methoxyphenyl)thiomorpholine-4-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C18H26N2O4S2 MolecularWeight: 398.54004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CSCCN2C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2CSCCN2C(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C18H26N2O4S2/c1-23-14-6-4-13(5-7-14)16-12-26-11-9-20(16)18(22)19-15(8-10-25-3)17(21)24-2/h4-7,15-16H,8-12H2,1-3H3,(H,19,22)/t15-,16?/m0/s1