ethyl 3-[1-[4-(1,3-dithiolan-2-yl)phenyl]carbonylpiperidin-4-yl]-3-phenyl-propanoate

Systemtic Name: ethyl 3-[1-[4-(1,3-dithiolan-2-yl)phenyl]carbonylpiperidin-4-yl]-3-phenyl-propanoate Openeye Name: ethyl 3-[1-[4-(1,3-dithiolan-2-yl)benzoyl]-4-piperidyl]-3-phenyl-propanoate CAS Name: 3-[1-[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]-4-piperidinyl]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[1-[4-(1,3-dithiolan-2-yl)benzoyl]piperidin-4-yl]-3-phenylpropanoate Traditional Name: 3-[1-[4-(1,3-dithiolan-2-yl)benzoyl]-4-piperidyl]-3-phenyl-propionic acid ethyl ester Formula: C26H31NO3S2 MolecularWeight: 469.65924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1CCN(CC1)C(=O)C2=CC=C(C=C2)C3SCCS3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC(C1CCN(CC1)C(=O)C2=CC=C(C=C2)C3SCCS3)C4=CC=CC=C4

InChI

InChI=1S/C26H31NO3S2/c1-2-30-24(28)18-23(19-6-4-3-5-7-19)20-12-14-27(15-13-20)25(29)21-8-10-22(11-9-21)26-31-16-17-32-26/h3-11,20,23,26H,2,12-18H2,1H3