methyl 1-[2-[(3-cyclooctylsulfanyl-1-ethoxy-1-oxidanylidene-propan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[2-[(3-cyclooctylsulfanyl-1-ethoxy-1-oxidanylidene-propan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[2-[[1-(cyclooctylsulfanylmethyl)-2-ethoxy-2-oxo-ethyl]amino]propanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-[[3-(cyclooctylthio)-1-ethoxy-1-oxopropan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(3-cyclooctylsulfanyl-1-ethoxy-1-oxopropan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-[[1-[(cyclooctylthio)methyl]-2-ethoxy-2-keto-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C22H38N2O5S MolecularWeight: 442.61252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC1CCCCCCC1)NC(C)C(=O)N2CCCC2C(=O)OC

Isomeric SMILES

CCOC(=O)C(CSC1CCCCCCC1)NC(C)C(=O)N2CCCC2C(=O)OC

InChI

InChI=1S/C22H38N2O5S/c1-4-29-21(26)18(15-30-17-11-8-6-5-7-9-12-17)23-16(2)20(25)24-14-10-13-19(24)22(27)28-3/h16-19,23H,4-15H2,1-3H3