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

Systemtic Name: ethyl 3-[butyl-[4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methyl-phenyl]amino]propanoate Openeye Name: ethyl 3-[N-butyl-4-(4-cyano-3-methyl-isothiazol-5-yl)azo-3-methyl-anilino]propanoate CAS Name: 3-[N-butyl-4-[(4-cyano-3-methyl-5-isothiazolyl)azo]-3-methylanilino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[N-butyl-4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methylanilino]propanoate Traditional Name: 3-[N-butyl-4-(4-cyano-3-methyl-isothiazol-5-yl)azo-3-methyl-anilino]propionic acid ethyl ester Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2S/c1-5-7-11-26(12-10-20(27)28-6-2)17-8-9-19(15(3)13-17)23-24-21-18(14-22)16(4)25-29-21/h8-9,13H,5-7,10-12H2,1-4H3