(4-nitrophenyl) (2S)-5-azanyl-2-[[1,1-bis(oxidanylidene)-1-benzothiophen-2-yl]methoxycarbonylamino]-5-oxidanylidene-pentanoate

Systemtic Name: (4-nitrophenyl) (2S)-5-azanyl-2-[[1,1-bis(oxidanylidene)-1-benzothiophen-2-yl]methoxycarbonylamino]-5-oxidanylidene-pentanoate Openeye Name: (4-nitrophenyl) (2S)-5-amino-2-[(1,1-dioxobenzothiophen-2-yl)methoxycarbonylamino]-5-oxo-pentanoate CAS Name: (2S)-5-amino-2-[[(1,1-dioxo-1-benzothiophen-2-yl)methoxy-oxomethyl]amino]-5-oxopentanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (2S)-5-amino-2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxycarbonylamino]-5-oxopentanoate Traditional Name: (2S)-5-amino-2-[(1,1-diketobenzothiophen-2-yl)methoxycarbonylamino]-5-keto-valeric acid (4-nitrophenyl) ester Formula: C21H19N3O9S MolecularWeight: 489.45526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2(=O)=O)COC(=O)NC(CCC(=O)N)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2(=O)=O)COC(=O)N[C@@H](CCC(=O)N)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O9S/c22-19(25)10-9-17(20(26)33-15-7-5-14(6-8-15)24(28)29)23-21(27)32-12-16-11-13-3-1-2-4-18(13)34(16,30)31/h1-8,11,17H,9-10,12H2,(H2,22,25)(H,23,27)/t17-/m0/s1