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

Systemtic Name: ethyl 3-[1,3-benzothiazol-5-yloxycarbonyl(phenyl)amino]-4-[(4-cyanophenyl)-methyl-amino]butanoate Openeye Name: ethyl 3-[N-(1,3-benzothiazol-5-yloxycarbonyl)anilino]-4-(4-cyano-N-methyl-anilino)butanoate CAS Name: 3-(N-[1,3-benzothiazol-5-yloxy(oxo)methyl]anilino)-4-(4-cyano-N-methylanilino)butanoic acid ethyl ester IUPAC Name: ethyl 3-[N-(1,3-benzothiazol-5-yloxycarbonyl)anilino]-4-(4-cyano-N-methylanilino)butanoate Traditional Name: 3-[N-(1,3-benzothiazol-5-yloxycarbonyl)anilino]-4-(4-cyano-N-methyl-anilino)butyric acid ethyl ester Formula: C28H26N4O4S MolecularWeight: 514.59544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26N4O4S/c1-3-35-27(33)15-23(18-31(2)21-11-9-20(17-29)10-12-21)32(22-7-5-4-6-8-22)28(34)36-24-13-14-26-25(16-24)30-19-37-26/h4-14,16,19,23H,3,15,18H2,1-2H3