(2S)-2-[[1,1-bis(oxidanylidene)-1-benzothiophen-2-yl]methoxycarbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[1,1-bis(oxidanylidene)-1-benzothiophen-2-yl]methoxycarbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[(1,1-dioxobenzothiophen-2-yl)methoxycarbonylamino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(1,1-dioxo-1-benzothiophen-2-yl)methoxy-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxycarbonylamino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[(1,1-diketobenzothiophen-2-yl)methoxycarbonylamino]-4-(methylthio)butyric acid Formula: C15H17NO6S2 MolecularWeight: 371.42858

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)OCC1=CC2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)OCC1=CC2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C15H17NO6S2/c1-23-7-6-12(14(17)18)16-15(19)22-9-11-8-10-4-2-3-5-13(10)24(11,20)21/h2-5,8,12H,6-7,9H2,1H3,(H,16,19)(H,17,18)/t12-/m0/s1