methyl (2S)-2-[[4-(1,3-dithian-2-yl)phenyl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[4-(1,3-dithian-2-yl)phenyl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[4-(1,3-dithian-2-yl)benzoyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[[4-(1,3-dithian-2-yl)phenyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(1,3-dithian-2-yl)benzoyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[4-(1,3-dithian-2-yl)benzoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C15H19NO4S2 MolecularWeight: 341.44566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=CC=C(C=C1)C2SCCCS2

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)C1=CC=C(C=C1)C2SCCCS2

InChI

InChI=1S/C15H19NO4S2/c1-20-14(19)12(9-17)16-13(18)10-3-5-11(6-4-10)15-21-7-2-8-22-15/h3-6,12,15,17H,2,7-9H2,1H3,(H,16,18)/t12-/m0/s1