ethyl 3-[[4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methyl-phenyl]-ethyl-amino]propanoate

Systemtic Name: ethyl 3-[[4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methyl-phenyl]-ethyl-amino]propanoate Openeye Name: ethyl 3-[4-(4-cyano-3-methyl-isothiazol-5-yl)azo-N-ethyl-3-methyl-anilino]propanoate CAS Name: 3-[4-[(4-cyano-3-methyl-5-isothiazolyl)azo]-N-ethyl-3-methylanilino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-N-ethyl-3-methylanilino]propanoate Traditional Name: 3-[4-(4-cyano-3-methyl-isothiazol-5-yl)azo-N-ethyl-3-methyl-anilino]propionic acid ethyl ester Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)OCC)C1=CC(=C(C=C1)N=NC2=C(C(=NS2)C)C#N)C

Isomeric SMILES

CCN(CCC(=O)OCC)C1=CC(=C(C=C1)N=NC2=C(C(=NS2)C)C#N)C

InChI

InChI=1S/C19H23N5O2S/c1-5-24(10-9-18(25)26-6-2)15-7-8-17(13(3)11-15)21-22-19-16(12-20)14(4)23-27-19/h7-8,11H,5-6,9-10H2,1-4H3