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

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C23H20ClNO5S MolecularWeight: 457.9266

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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)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC(=O)C2=CC=C(S2)Cl)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H20ClNO5S/c24-21-12-11-20(31-21)19(26)15-29-22(27)18(13-16-7-3-1-4-8-16)25-23(28)30-14-17-9-5-2-6-10-17/h1-12,18H,13-15H2,(H,25,28)