(2S)-2-[[1,1-bis(oxidanylidene)-1-benzothiophen-2-yl]methoxycarbonylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[[1,1-bis(oxidanylidene)-1-benzothiophen-2-yl]methoxycarbonylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[(1,1-dioxobenzothiophen-2-yl)methoxycarbonylamino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(1,1-dioxo-1-benzothiophen-2-yl)methoxy-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxycarbonylamino]-4-methylpentanoate Traditional Name: (2S)-2-[(1,1-diketobenzothiophen-2-yl)methoxycarbonylamino]-4-methyl-valerate Formula: C16H18NO6S- MolecularWeight: 352.38222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)OCC1=CC2=CC=CC=C2S1(=O)=O

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO6S/c1-10(2)7-13(15(18)19)17-16(20)23-9-12-8-11-5-3-4-6-14(11)24(12,21)22/h3-6,8,10,13H,7,9H2,1-2H3,(H,17,20)(H,18,19)/p-1/t13-/m0/s1