2-[2-acetyloxyethyl-[3-methyl-4-[(6-thiocyanato-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]ethyl ethanoate

Systemtic Name: 2-[2-acetyloxyethyl-[3-methyl-4-[(6-thiocyanato-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]ethyl ethanoate Openeye Name: 2-[N-(2-acetoxyethyl)-3-methyl-4-[(6-thiocyanato-1,3-benzothiazol-2-yl)azo]anilino]ethyl acetate CAS Name: acetic acid 2-[N-(2-acetyloxyethyl)-3-methyl-4-[(6-thiocyanato-1,3-benzothiazol-2-yl)azo]anilino]ethyl ester IUPAC Name: 2-[N-(2-acetyloxyethyl)-3-methyl-4-[(6-thiocyanato-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl acetate Traditional Name: acetic acid 2-[N-(2-acetoxyethyl)-3-methyl-4-[(6-thiocyanato-1,3-benzothiazol-2-yl)azo]anilino]ethyl ester Formula: C23H23N5O4S2 MolecularWeight: 497.58982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=NC3=C(S2)C=C(C=C3)SC#N

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=NC3=C(S2)C=C(C=C3)SC#N

InChI

InChI=1S/C23H23N5O4S2/c1-15-12-18(28(8-10-31-16(2)29)9-11-32-17(3)30)4-6-20(15)26-27-23-25-21-7-5-19(33-14-24)13-22(21)34-23/h4-7,12-13H,8-11H2,1-3H3