(2,3,4,5,6-pentamethylphenyl)methyl 3-azanyl-2-cyano-N-(3-methoxypropyl)-3-oxidanylidene-propanimidothioate

Systemtic Name: (2,3,4,5,6-pentamethylphenyl)methyl 3-azanyl-2-cyano-N-(3-methoxypropyl)-3-oxidanylidene-propanimidothioate Openeye Name: (2,3,4,5,6-pentamethylphenyl)methyl 3-amino-2-cyano-N-(3-methoxypropyl)-3-oxo-propanimidothioate CAS Name: 3-amino-2-cyano-N-(3-methoxypropyl)-3-oxopropanimidothioic acid (2,3,4,5,6-pentamethylphenyl)methyl ester IUPAC Name: (2,3,4,5,6-pentamethylphenyl)methyl 3-amino-2-cyano-N-(3-methoxypropyl)-3-oxopropanimidothioate Traditional Name: 3-amino-2-cyano-3-keto-N-(3-methoxypropyl)thiopropionimidic acid (2,3,4,5,6-pentamethylbenzyl) ester Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)CSC(=NCCCOC)C(C#N)C(=O)N)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)CSC(=NCCCOC)C(C#N)C(=O)N)C)C

InChI

InChI=1S/C20H29N3O2S/c1-12-13(2)15(4)18(16(5)14(12)3)11-26-20(17(10-21)19(22)24)23-8-7-9-25-6/h17H,7-9,11H2,1-6H3,(H2,22,24)