3-phenylpropyl 4-(2-diethylaminoethylsulfanyl)-3-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-(2-diethylaminoethylsulfanyl)-3-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-(2-diethylaminoethylsulfanyl)-3-oxo-butanoate CAS Name: 4-(2-diethylaminoethylthio)-3-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(2-diethylaminoethylsulfanyl)-3-oxobutanoate Traditional Name: 4-(2-diethylaminoethylthio)-3-keto-butyric acid 3-phenylpropyl ester Formula: C19H29NO3S MolecularWeight: 351.50346

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSCC(=O)CC(=O)OCCCC1=CC=CC=C1

Isomeric SMILES

CCN(CC)CCSCC(=O)CC(=O)OCCCC1=CC=CC=C1

InChI

InChI=1S/C19H29NO3S/c1-3-20(4-2)12-14-24-16-18(21)15-19(22)23-13-8-11-17-9-6-5-7-10-17/h5-7,9-10H,3-4,8,11-16H2,1-2H3