ethyl 2-[1,3-benzothiazol-5-yloxycarbonyl(phenyl)amino]-3-[(4-cyanophenyl)amino]propanoate

Systemtic Name: ethyl 2-[1,3-benzothiazol-5-yloxycarbonyl(phenyl)amino]-3-[(4-cyanophenyl)amino]propanoate Openeye Name: ethyl 2-[N-(1,3-benzothiazol-5-yloxycarbonyl)anilino]-3-(4-cyanoanilino)propanoate CAS Name: 2-(N-[1,3-benzothiazol-5-yloxy(oxo)methyl]anilino)-3-(4-cyanoanilino)propanoic acid ethyl ester IUPAC Name: ethyl 2-[N-(1,3-benzothiazol-5-yloxycarbonyl)anilino]-3-(4-cyanoanilino)propanoate Traditional Name: 2-[N-(1,3-benzothiazol-5-yloxycarbonyl)anilino]-3-(4-cyanoanilino)propionic acid ethyl ester Formula: C26H22N4O4S MolecularWeight: 486.54228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CNC1=CC=C(C=C1)C#N)N(C2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)SC=N4

Isomeric SMILES

CCOC(=O)C(CNC1=CC=C(C=C1)C#N)N(C2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)SC=N4

InChI

InChI=1S/C26H22N4O4S/c1-2-33-25(31)23(16-28-19-10-8-18(15-27)9-11-19)30(20-6-4-3-5-7-20)26(32)34-21-12-13-24-22(14-21)29-17-35-24/h3-14,17,23,28H,2,16H2,1H3