2-[2-acetyloxyethyl-[4-[(3,5-dicyano-4-methyl-thiophen-2-yl)diazenyl]-3-methyl-phenyl]amino]ethyl ethanoate

Systemtic Name: 2-[2-acetyloxyethyl-[4-[(3,5-dicyano-4-methyl-thiophen-2-yl)diazenyl]-3-methyl-phenyl]amino]ethyl ethanoate Openeye Name: 2-[N-(2-acetoxyethyl)-4-[(3,5-dicyano-4-methyl-2-thienyl)azo]-3-methyl-anilino]ethyl acetate CAS Name: acetic acid 2-[N-(2-acetyloxyethyl)-4-[(3,5-dicyano-4-methyl-2-thiophenyl)azo]-3-methylanilino]ethyl ester IUPAC Name: 2-[N-(2-acetyloxyethyl)-4-[(3,5-dicyano-4-methylthiophen-2-yl)diazenyl]-3-methylanilino]ethyl acetate Traditional Name: acetic acid 2-[N-(2-acetoxyethyl)-4-[(3,5-dicyano-4-methyl-2-thienyl)azo]-3-methyl-anilino]ethyl ester Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O4S/c1-14-11-18(27(7-9-30-16(3)28)8-10-31-17(4)29)5-6-20(14)25-26-22-19(12-23)15(2)21(13-24)32-22/h5-6,11H,7-10H2,1-4H3