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

Systemtic Name: ethyl (2S)-2-[[1,1-bis(oxidanylidene)-1-benzothiophen-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[(1,1-dioxobenzothiophene-2-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(1,1-dioxo-1-benzothiophen-2-yl)-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(1,1-dioxo-1-benzothiophene-2-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(1,1-diketobenzothiophene-2-carbonyl)amino]-3-phenyl-propionic acid ethyl ester Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C20H19NO5S/c1-2-26-20(23)16(12-14-8-4-3-5-9-14)21-19(22)18-13-15-10-6-7-11-17(15)27(18,24)25/h3-11,13,16H,2,12H2,1H3,(H,21,22)/t16-/m0/s1