ditert-butyl 2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]propanedioate

Systemtic Name: ditert-butyl 2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]propanedioate Openeye Name: ditert-butyl 2-[3-(1H-imidazol-5-ylmethylamino)-2-thienyl]propanedioate CAS Name: 2-[3-(1H-imidazol-5-ylmethylamino)-2-thiophenyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]propanedioate Traditional Name: 2-[3-(1H-imidazol-5-ylmethylamino)-2-thienyl]malonic acid ditert-butyl ester Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=C(C=CS1)NCC2=CN=CN2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=C(C=CS1)NCC2=CN=CN2)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H27N3O4S/c1-18(2,3)25-16(23)14(17(24)26-19(4,5)6)15-13(7-8-27-15)21-10-12-9-20-11-22-12/h7-9,11,14,21H,10H2,1-6H3,(H,20,22)