ethyl 4-[[(3-azanyl-2-cyano-3-oxidanylidene-propanethioyl)amino]methyl]benzoate

Systemtic Name: ethyl 4-[[(3-azanyl-2-cyano-3-oxidanylidene-propanethioyl)amino]methyl]benzoate Openeye Name: ethyl 4-[[(3-amino-2-cyano-3-oxo-propanethioyl)amino]methyl]benzoate CAS Name: 4-[[(3-amino-2-cyano-3-oxo-1-sulfanylidenepropyl)amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3-amino-2-cyano-3-oxopropanethioyl)amino]methyl]benzoate Traditional Name: 4-[[(3-amino-2-cyano-3-keto-propanethioyl)amino]methyl]benzoic acid ethyl ester Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CNC(=S)C(C#N)C(=O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CNC(=S)C(C#N)C(=O)N

InChI

InChI=1S/C14H15N3O3S/c1-2-20-14(19)10-5-3-9(4-6-10)8-17-13(21)11(7-15)12(16)18/h3-6,11H,2,8H2,1H3,(H2,16,18)(H,17,21)