methyl 4-[(3E)-3-[2-methyl-1-(2-propan-2-ylphenyl)propylidene]-5-oxidanylidene-thiomorpholin-4-yl]butanoate

Systemtic Name: methyl 4-[(3E)-3-[2-methyl-1-(2-propan-2-ylphenyl)propylidene]-5-oxidanylidene-thiomorpholin-4-yl]butanoate Openeye Name: methyl 4-[(3E)-3-[1-(2-isopropylphenyl)-2-methyl-propylidene]-5-oxo-thiomorpholin-4-yl]butanoate CAS Name: 4-[(3E)-3-[2-methyl-1-(2-propan-2-ylphenyl)propylidene]-5-oxo-4-thiomorpholinyl]butanoic acid methyl ester IUPAC Name: methyl 4-[(3E)-3-[2-methyl-1-(2-propan-2-ylphenyl)propylidene]-5-oxothiomorpholin-4-yl]butanoate Traditional Name: 4-[(5E)-3-keto-5-(2-methyl-1-o-cumenyl-propylidene)thiomorpholin-4-yl]butyric acid methyl ester Formula: C22H31NO3S MolecularWeight: 389.55144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1C(=C2CSCC(=O)N2CCCC(=O)OC)C(C)C

Isomeric SMILES

CC(C)C1=CC=CC=C1/C(=C/2\CSCC(=O)N2CCCC(=O)OC)/C(C)C

InChI

InChI=1S/C22H31NO3S/c1-15(2)17-9-6-7-10-18(17)22(16(3)4)19-13-27-14-20(24)23(19)12-8-11-21(25)26-5/h6-7,9-10,15-16H,8,11-14H2,1-5H3/b22-19+