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

Systemtic Name: ethyl 3-[1,3-benzothiazol-5-yloxycarbonyl(propyl)amino]-4-[(4-cyanophenyl)amino]butanoate Openeye Name: ethyl 3-[1,3-benzothiazol-5-yloxycarbonyl(propyl)amino]-4-(4-cyanoanilino)butanoate CAS Name: 3-[[1,3-benzothiazol-5-yloxy(oxo)methyl]-propylamino]-4-(4-cyanoanilino)butanoic acid ethyl ester IUPAC Name: ethyl 3-[1,3-benzothiazol-5-yloxycarbonyl(propyl)amino]-4-(4-cyanoanilino)butanoate Traditional Name: 3-[1,3-benzothiazol-5-yloxycarbonyl(propyl)amino]-4-(4-cyanoanilino)butyric acid ethyl ester Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(CC(=O)OCC)CNC1=CC=C(C=C1)C#N)C(=O)OC2=CC3=C(C=C2)SC=N3

Isomeric SMILES

CCCN(C(CC(=O)OCC)CNC1=CC=C(C=C1)C#N)C(=O)OC2=CC3=C(C=C2)SC=N3

InChI

InChI=1S/C24H26N4O4S/c1-3-11-28(24(30)32-20-9-10-22-21(13-20)27-16-33-22)19(12-23(29)31-4-2)15-26-18-7-5-17(14-25)6-8-18/h5-10,13,16,19,26H,3-4,11-12,15H2,1-2H3