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

Systemtic Name: (2S)-4-azanyl-2-[[1,1-bis(oxidanylidene)-1-benzothiophen-2-yl]methoxycarbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-amino-2-[(1,1-dioxobenzothiophen-2-yl)methoxycarbonylamino]-4-oxo-butanoic acid CAS Name: (2S)-4-amino-2-[[(1,1-dioxo-1-benzothiophen-2-yl)methoxy-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-amino-2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxycarbonylamino]-4-oxobutanoic acid Traditional Name: (2S)-4-amino-2-[(1,1-diketobenzothiophen-2-yl)methoxycarbonylamino]-4-keto-butyric acid Formula: C14H14N2O7S MolecularWeight: 354.33516

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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)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2(=O)=O)COC(=O)N[C@@H](CC(=O)N)C(=O)O

InChI

InChI=1S/C14H14N2O7S/c15-12(17)6-10(13(18)19)16-14(20)23-7-9-5-8-3-1-2-4-11(8)24(9,21)22/h1-5,10H,6-7H2,(H2,15,17)(H,16,20)(H,18,19)/t10-/m0/s1