[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-phenyl-propanoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-phenyl-propanoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] (2S)-2-benzamido-3-phenyl-propanoate CAS Name: (2S)-2-benzamido-3-phenylpropanoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate Traditional Name: (2S)-2-benzamido-3-phenyl-propionic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C22H18ClNO4S MolecularWeight: 427.90062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC(=O)C2=CC=C(S2)Cl)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC(=O)C2=CC=C(S2)Cl)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H18ClNO4S/c23-20-12-11-19(29-20)18(25)14-28-22(27)17(13-15-7-3-1-4-8-15)24-21(26)16-9-5-2-6-10-16/h1-12,17H,13-14H2,(H,24,26)/t17-/m0/s1