ethyl 2-[[2-[[(4-cyanophenyl)amino]methyl]-1,3-benzothiazol-5-yl]carbonyl-phenyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-[[(4-cyanophenyl)amino]methyl]-1,3-benzothiazol-5-yl]carbonyl-phenyl-amino]ethanoate Openeye Name: ethyl 2-(N-[2-[(4-cyanoanilino)methyl]-1,3-benzothiazole-5-carbonyl]anilino)acetate CAS Name: 2-(N-[[2-[(4-cyanoanilino)methyl]-1,3-benzothiazol-5-yl]-oxomethyl]anilino)acetic acid ethyl ester IUPAC Name: ethyl 2-(N-[2-[(4-cyanoanilino)methyl]-1,3-benzothiazole-5-carbonyl]anilino)acetate Traditional Name: 2-(N-[2-[(4-cyanoanilino)methyl]-1,3-benzothiazole-5-carbonyl]anilino)acetic acid ethyl ester Formula: C26H22N4O3S MolecularWeight: 470.54288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)SC(=N3)CNC4=CC=C(C=C4)C#N

Isomeric SMILES

CCOC(=O)CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)SC(=N3)CNC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H22N4O3S/c1-2-33-25(31)17-30(21-6-4-3-5-7-21)26(32)19-10-13-23-22(14-19)29-24(34-23)16-28-20-11-8-18(15-27)9-12-20/h3-14,28H,2,16-17H2,1H3