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

Systemtic Name: ethyl 4-[[4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methyl-phenyl]-(4-ethoxy-4-oxidanylidene-butyl)amino]butanoate Openeye Name: ethyl 4-[4-(4-cyano-3-methyl-isothiazol-5-yl)azo-N-(4-ethoxy-4-oxo-butyl)-3-methyl-anilino]butanoate CAS Name: 4-[4-[(4-cyano-3-methyl-5-isothiazolyl)azo]-N-(4-ethoxy-4-oxobutyl)-3-methylanilino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-N-(4-ethoxy-4-oxobutyl)-3-methylanilino]butanoate Traditional Name: 4-[4-(4-cyano-3-methyl-isothiazol-5-yl)azo-N-(4-ethoxy-4-keto-butyl)-3-methyl-anilino]butyric acid ethyl ester Formula: C24H31N5O4S MolecularWeight: 485.59904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN(CCCC(=O)OCC)C1=CC(=C(C=C1)N=NC2=C(C(=NS2)C)C#N)C

Isomeric SMILES

CCOC(=O)CCCN(CCCC(=O)OCC)C1=CC(=C(C=C1)N=NC2=C(C(=NS2)C)C#N)C

InChI

InChI=1S/C24H31N5O4S/c1-5-32-22(30)9-7-13-29(14-8-10-23(31)33-6-2)19-11-12-21(17(3)15-19)26-27-24-20(16-25)18(4)28-34-24/h11-12,15H,5-10,13-14H2,1-4H3