(5-ethanoyl-2-methoxy-phenyl)methyl 3-azanyl-2-cyano-N-(3-methoxypropyl)-3-oxidanylidene-propanimidothioate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 3-azanyl-2-cyano-N-(3-methoxypropyl)-3-oxidanylidene-propanimidothioate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 3-amino-2-cyano-N-(3-methoxypropyl)-3-oxo-propanimidothioate CAS Name: 3-amino-2-cyano-N-(3-methoxypropyl)-3-oxopropanimidothioic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 3-amino-2-cyano-N-(3-methoxypropyl)-3-oxopropanimidothioate Traditional Name: 3-amino-2-cyano-3-keto-N-(3-methoxypropyl)thiopropionimidic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC(=NCCCOC)C(C#N)C(=O)N

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC(=NCCCOC)C(C#N)C(=O)N

InChI

InChI=1S/C18H23N3O4S/c1-12(22)13-5-6-16(25-3)14(9-13)11-26-18(15(10-19)17(20)23)21-7-4-8-24-2/h5-6,9,15H,4,7-8,11H2,1-3H3,(H2,20,23)