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

Systemtic Name: 4-[[4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-3-methyl-phenyl]-ethyl-amino]butanoic acid Openeye Name: 4-[4-(4-cyano-3-methyl-isothiazol-5-yl)azo-N-ethyl-3-methyl-anilino]butanoic acid CAS Name: 4-[4-[(4-cyano-3-methyl-5-isothiazolyl)azo]-N-ethyl-3-methylanilino]butanoic acid IUPAC Name: 4-[4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-N-ethyl-3-methylanilino]butanoic acid Traditional Name: 4-[4-(4-cyano-3-methyl-isothiazol-5-yl)azo-N-ethyl-3-methyl-anilino]butyric acid Formula: C18H21N5O2S MolecularWeight: 371.45664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O2S/c1-4-23(9-5-6-17(24)25)14-7-8-16(12(2)10-14)20-21-18-15(11-19)13(3)22-26-18/h7-8,10H,4-6,9H2,1-3H3,(H,24,25)