2-[[4-[[5,6-bis(chloranyl)-1,3-benzothiazol-2-yl]diazenyl]phenyl]-(2-cyanoethyl)amino]ethyl ethanoate

Systemtic Name: 2-[[4-[[5,6-bis(chloranyl)-1,3-benzothiazol-2-yl]diazenyl]phenyl]-(2-cyanoethyl)amino]ethyl ethanoate Openeye Name: 2-[N-(2-cyanoethyl)-4-[(5,6-dichloro-1,3-benzothiazol-2-yl)azo]anilino]ethyl acetate CAS Name: acetic acid 2-[N-(2-cyanoethyl)-4-[(5,6-dichloro-1,3-benzothiazol-2-yl)azo]anilino]ethyl ester IUPAC Name: 2-[N-(2-cyanoethyl)-4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl acetate Traditional Name: acetic acid 2-[N-(2-cyanoethyl)-4-[(5,6-dichloro-1,3-benzothiazol-2-yl)azo]anilino]ethyl ester Formula: C20H17Cl2N5O2S MolecularWeight: 462.35228

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC3=CC(=C(C=C3S2)Cl)Cl

Isomeric SMILES

CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC3=CC(=C(C=C3S2)Cl)Cl

InChI

InChI=1S/C20H17Cl2N5O2S/c1-13(28)29-10-9-27(8-2-7-23)15-5-3-14(4-6-15)25-26-20-24-18-11-16(21)17(22)12-19(18)30-20/h3-6,11-12H,2,8-10H2,1H3