(E)-7-[2-morpholin-4-yl-3-oxidanylidene-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enethioic S-acid

Systemtic Name: (E)-7-[2-morpholin-4-yl-3-oxidanylidene-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enethioic S-acid Openeye Name: (E)-7-[2-morpholino-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enethioic S-acid CAS Name: (E)-7-[2-(4-morpholinyl)-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]-4-heptenethioic S-acid IUPAC Name: (E)-7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enethioic S-acid Traditional Name: (E)-7-[3-keto-2-morpholino-5-(4-phenylbenzyl)oxy-cyclopentyl]hept-4-enethioic S-acid Formula: C29H35NO4S MolecularWeight: 493.6575

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2C(C(CC2=O)OCC3=CC=C(C=C3)C4=CC=CC=C4)CCC=CCCC(=O)S

Isomeric SMILES

C1COCCN1C2C(C(CC2=O)OCC3=CC=C(C=C3)C4=CC=CC=C4)CC/C=C/CCC(=O)S

InChI

InChI=1S/C29H35NO4S/c31-26-20-27(34-21-22-12-14-24(15-13-22)23-8-4-3-5-9-23)25(10-6-1-2-7-11-28(32)35)29(26)30-16-18-33-19-17-30/h1-5,8-9,12-15,25,27,29H,6-7,10-11,16-21H2,(H,32,35)/b2-1+