methyl 3-[4-(2-methyl-2-morpholin-4-yl-pent-4-enoyl)phenyl]sulfanylpropanoate

Systemtic Name: methyl 3-[4-(2-methyl-2-morpholin-4-yl-pent-4-enoyl)phenyl]sulfanylpropanoate Openeye Name: methyl 3-[4-(2-methyl-2-morpholino-pent-4-enoyl)phenyl]sulfanylpropanoate CAS Name: 3-[[4-[2-methyl-2-(4-morpholinyl)-1-oxopent-4-enyl]phenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(2-methyl-2-morpholin-4-ylpent-4-enoyl)phenyl]sulfanylpropanoate Traditional Name: 3-[[4-(2-methyl-2-morpholino-pent-4-enoyl)phenyl]thio]propionic acid methyl ester Formula: C20H27NO4S MolecularWeight: 377.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=C)(C(=O)C1=CC=C(C=C1)SCCC(=O)OC)N2CCOCC2

Isomeric SMILES

CC(CC=C)(C(=O)C1=CC=C(C=C1)SCCC(=O)OC)N2CCOCC2

InChI

InChI=1S/C20H27NO4S/c1-4-10-20(2,21-11-13-25-14-12-21)19(23)16-5-7-17(8-6-16)26-15-9-18(22)24-3/h4-8H,1,9-15H2,2-3H3