2-morpholin-4-ylethyl (E)-7-[2-(4-tert-butylphenyl)-2-thiophen-2-ylcarbonyl-hydrazinyl]hept-5-enoate

Systemtic Name: 2-morpholin-4-ylethyl (E)-7-[2-(4-tert-butylphenyl)-2-thiophen-2-ylcarbonyl-hydrazinyl]hept-5-enoate Openeye Name: 2-morpholinoethyl (E)-7-[2-(4-tert-butylphenyl)-2-(thiophene-2-carbonyl)hydrazino]hept-5-enoate CAS Name: (E)-7-[2-(4-tert-butylphenyl)-2-[oxo(thiophen-2-yl)methyl]hydrazinyl]-5-heptenoic acid 2-(4-morpholinyl)ethyl ester IUPAC Name: 2-morpholin-4-ylethyl (E)-7-[2-(4-tert-butylphenyl)-2-(thiophene-2-carbonyl)hydrazinyl]hept-5-enoate Traditional Name: (E)-7-[N'-(4-tert-butylphenyl)-N'-(2-thenoyl)hydrazino]hept-5-enoic acid 2-morpholinoethyl ester Formula: C28H39N3O4S MolecularWeight: 513.69196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N(C(=O)C2=CC=CS2)NCC=CCCCC(=O)OCCN3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N(C(=O)C2=CC=CS2)NC/C=C/CCCC(=O)OCCN3CCOCC3

InChI

InChI=1S/C28H39N3O4S/c1-28(2,3)23-11-13-24(14-12-23)31(27(33)25-9-8-22-36-25)29-15-7-5-4-6-10-26(32)35-21-18-30-16-19-34-20-17-30/h5,7-9,11-14,22,29H,4,6,10,15-21H2,1-3H3/b7-5+