S-(2-morpholin-4-ylethyl) 1-[(4-ethenylphenyl)methyl]-2-oxidanylidene-cyclohexane-1-carbothioate

Systemtic Name: S-(2-morpholin-4-ylethyl) 1-[(4-ethenylphenyl)methyl]-2-oxidanylidene-cyclohexane-1-carbothioate Openeye Name: S-(2-morpholinoethyl) 2-oxo-1-[(4-vinylphenyl)methyl]cyclohexanecarbothioate CAS Name: 1-[(4-ethenylphenyl)methyl]-2-oxo-1-cyclohexanecarbothioic acid S-[2-(4-morpholinyl)ethyl] ester IUPAC Name: S-(2-morpholin-4-ylethyl) 1-[(4-ethenylphenyl)methyl]-2-oxocyclohexane-1-carbothioate Traditional Name: 2-keto-1-(4-vinylbenzyl)cyclohexanecarbothioic acid S-(2-morpholinoethyl) ester Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(C=C1)CC2(CCCCC2=O)C(=O)SCCN3CCOCC3

Isomeric SMILES

C=CC1=CC=C(C=C1)CC2(CCCCC2=O)C(=O)SCCN3CCOCC3

InChI

InChI=1S/C22H29NO3S/c1-2-18-6-8-19(9-7-18)17-22(10-4-3-5-20(22)24)21(25)27-16-13-23-11-14-26-15-12-23/h2,6-9H,1,3-5,10-17H2