ethyl 1-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamoyl]-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamoyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[(1,1-dioxothiolan-3-yl)carbamoyl]-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[[(1,1-dioxo-3-thiolanyl)amino]-oxomethyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1,1-dioxothiolan-3-yl)carbamoyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-[(1,1-diketothiolan-3-yl)carbamoyl]-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)NC2CCS(=O)(=O)C2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)NC2CCS(=O)(=O)C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H32N2O5S/c1-2-29-20(25)22(11-6-9-18-7-4-3-5-8-18)12-14-24(15-13-22)21(26)23-19-10-16-30(27,28)17-19/h3-5,7-8,19H,2,6,9-17H2,1H3,(H,23,26)