ethyl 1-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamoyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamoyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[(1,1-dioxothiolan-3-yl)carbamoyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate CAS Name: 1-[[(1,1-dioxo-3-thiolanyl)amino]-oxomethyl]-4-(2-phenoxyethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1,1-dioxothiolan-3-yl)carbamoyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate Traditional Name: 1-[(1,1-diketothiolan-3-yl)carbamoyl]-4-(2-phenoxyethyl)isonipecotic acid ethyl ester Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)NC2CCS(=O)(=O)C2)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)NC2CCS(=O)(=O)C2)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H30N2O6S/c1-2-28-19(24)21(11-14-29-18-6-4-3-5-7-18)9-12-23(13-10-21)20(25)22-17-8-15-30(26,27)16-17/h3-7,17H,2,8-16H2,1H3,(H,22,25)