(2S)-2-[[1,1-bis(oxidanylidene)-1-benzothiophen-2-yl]methoxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[[1,1-bis(oxidanylidene)-1-benzothiophen-2-yl]methoxycarbonylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[(1,1-dioxobenzothiophen-2-yl)methoxycarbonylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(1,1-dioxo-1-benzothiophen-2-yl)methoxy-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxycarbonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[(1,1-diketobenzothiophen-2-yl)methoxycarbonylamino]-3-phenyl-propionate Formula: C19H16NO6S- MolecularWeight: 386.39844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)OCC2=CC3=CC=CC=C3S2(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC(=O)OCC2=CC3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C19H17NO6S/c21-18(22)16(10-13-6-2-1-3-7-13)20-19(23)26-12-15-11-14-8-4-5-9-17(14)27(15,24)25/h1-9,11,16H,10,12H2,(H,20,23)(H,21,22)/p-1/t16-/m0/s1