methyl (2S)-3-oxidanyl-2-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate

Systemtic Name: methyl (2S)-3-oxidanyl-2-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate Openeye Name: methyl (2S)-3-hydroxy-2-[[4-oxo-4-(2-thienyl)butanoyl]amino]propanoate CAS Name: (2S)-2-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[[4-keto-4-(2-thienyl)butanoyl]amino]propionic acid methyl ester Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CCC(=O)C1=CC=CS1

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)CCC(=O)C1=CC=CS1

InChI

InChI=1S/C12H15NO5S/c1-18-12(17)8(7-14)13-11(16)5-4-9(15)10-3-2-6-19-10/h2-3,6,8,14H,4-5,7H2,1H3,(H,13,16)/t8-/m0/s1