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

Systemtic Name: ethyl (2S)-2-[[1,1-bis(oxidanylidene)-1-benzothiophen-2-yl]methoxycarbonylamino]-3-phenyl-propanoate Openeye Name: ethyl (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-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxycarbonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[(1,1-diketobenzothiophen-2-yl)methoxycarbonylamino]-3-phenyl-propionic acid ethyl ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C21H21NO6S/c1-2-27-20(23)18(12-15-8-4-3-5-9-15)22-21(24)28-14-17-13-16-10-6-7-11-19(16)29(17,25)26/h3-11,13,18H,2,12,14H2,1H3,(H,22,24)/t18-/m0/s1