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

Systemtic Name: ethyl 3-[[2-[2-(4-cyanophenyl)ethyl]-1,3-benzothiazol-5-yl]carbonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-(N-[2-[2-(4-cyanophenyl)ethyl]-1,3-benzothiazole-5-carbonyl]anilino)propanoate CAS Name: 3-(N-[[2-[2-(4-cyanophenyl)ethyl]-1,3-benzothiazol-5-yl]-oxomethyl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(N-[2-[2-(4-cyanophenyl)ethyl]-1,3-benzothiazole-5-carbonyl]anilino)propanoate Traditional Name: 3-(N-[2-[2-(4-cyanophenyl)ethyl]-1,3-benzothiazole-5-carbonyl]anilino)propionic acid ethyl ester Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)SC(=N3)CCC4=CC=C(C=C4)C#N

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)SC(=N3)CCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H25N3O3S/c1-2-34-27(32)16-17-31(23-6-4-3-5-7-23)28(33)22-13-14-25-24(18-22)30-26(35-25)15-12-20-8-10-21(19-29)11-9-20/h3-11,13-14,18H,2,12,15-17H2,1H3