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

Systemtic Name: ethyl 3-[1,3-benzothiazol-5-yloxycarbonyl(phenyl)amino]-5-(4-cyanophenyl)pentanoate Openeye Name: ethyl 3-[N-(1,3-benzothiazol-5-yloxycarbonyl)anilino]-5-(4-cyanophenyl)pentanoate CAS Name: 3-(N-[1,3-benzothiazol-5-yloxy(oxo)methyl]anilino)-5-(4-cyanophenyl)pentanoic acid ethyl ester IUPAC Name: ethyl 3-[N-(1,3-benzothiazol-5-yloxycarbonyl)anilino]-5-(4-cyanophenyl)pentanoate Traditional Name: 3-[N-(1,3-benzothiazol-5-yloxycarbonyl)anilino]-5-(4-cyanophenyl)valeric acid ethyl ester Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CCC1=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(CCC1=CC=C(C=C1)C#N)N(C2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)SC=N4

InChI

InChI=1S/C28H25N3O4S/c1-2-34-27(32)16-23(13-12-20-8-10-21(18-29)11-9-20)31(22-6-4-3-5-7-22)28(33)35-24-14-15-26-25(17-24)30-19-36-26/h3-11,14-15,17,19,23H,2,12-13,16H2,1H3