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

Systemtic Name: (4-nitrophenyl) (2S)-4-azanyl-2-[[1,1-bis(oxidanylidene)-1-benzothiophen-2-yl]methoxycarbonylamino]-4-oxidanylidene-butanoate Openeye Name: (4-nitrophenyl) (2S)-4-amino-2-[(1,1-dioxobenzothiophen-2-yl)methoxycarbonylamino]-4-oxo-butanoate CAS Name: (2S)-4-amino-2-[[(1,1-dioxo-1-benzothiophen-2-yl)methoxy-oxomethyl]amino]-4-oxobutanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (2S)-4-amino-2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxycarbonylamino]-4-oxobutanoate Traditional Name: (2S)-4-amino-2-[(1,1-diketobenzothiophen-2-yl)methoxycarbonylamino]-4-keto-butyric acid (4-nitrophenyl) ester Formula: C20H17N3O9S MolecularWeight: 475.42868

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H17N3O9S/c21-18(24)10-16(19(25)32-14-7-5-13(6-8-14)23(27)28)22-20(26)31-11-15-9-12-3-1-2-4-17(12)33(15,29)30/h1-9,16H,10-11H2,(H2,21,24)(H,22,26)/t16-/m0/s1