methyl (2E)-2-[(4-methylphenyl)-thiophen-2-yl-methylidene]-4-morpholin-4-yl-4-oxidanylidene-butanoate

Systemtic Name: methyl (2E)-2-[(4-methylphenyl)-thiophen-2-yl-methylidene]-4-morpholin-4-yl-4-oxidanylidene-butanoate Openeye Name: methyl (2E)-4-morpholino-4-oxo-2-[p-tolyl(2-thienyl)methylene]butanoate CAS Name: (2E)-2-[(4-methylphenyl)-thiophen-2-ylmethylidene]-4-(4-morpholinyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl (2E)-2-[(4-methylphenyl)-thiophen-2-ylmethylidene]-4-morpholin-4-yl-4-oxobutanoate Traditional Name: (E)-2-(2-keto-2-morpholino-ethyl)-3-(p-tolyl)-3-(2-thienyl)acrylic acid methyl ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C(CC(=O)N2CCOCC2)C(=O)OC)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C(/CC(=O)N2CCOCC2)\C(=O)OC)/C3=CC=CS3

InChI

InChI=1S/C21H23NO4S/c1-15-5-7-16(8-6-15)20(18-4-3-13-27-18)17(21(24)25-2)14-19(23)22-9-11-26-12-10-22/h3-8,13H,9-12,14H2,1-2H3/b20-17+