(2S)-2-[[1,1-bis(oxidanylidene)-1-benzothiophen-2-yl]methoxycarbonylamino]-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butanoate; dicyclohexylazanium

Systemtic Name: (2S)-2-[[1,1-bis(oxidanylidene)-1-benzothiophen-2-yl]methoxycarbonylamino]-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butanoate; dicyclohexylazanium Openeye Name: (2S)-4-tert-butoxy-2-[(1,1-dioxobenzothiophen-2-yl)methoxycarbonylamino]-4-oxo-butanoate; dicyclohexylammonium CAS Name: dicyclohexylammonium; (2S)-2-[[(1,1-dioxo-1-benzothiophen-2-yl)methoxy-oxomethyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate IUPAC Name: dicyclohexylazanium; (2S)-2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxycarbonylamino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate Traditional Name: (2S)-4-tert-butoxy-2-[(1,1-diketobenzothiophen-2-yl)methoxycarbonylamino]-4-keto-butyrate; dicyclohexylammonium Formula: C30H44N2O8S MolecularWeight: 592.74396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=O)[O-])NC(=O)OCC1=CC2=CC=CC=C2S1(=O)=O.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)C[C@@H](C(=O)[O-])NC(=O)OCC1=CC2=CC=CC=C2S1(=O)=O.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C18H21NO8S.C12H23N/c1-18(2,3)27-15(20)9-13(16(21)22)19-17(23)26-10-12-8-11-6-4-5-7-14(11)28(12,24)25;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,13H,9-10H2,1-3H3,(H,19,23)(H,21,22);11-13H,1-10H2/t13-;/m0./s1