ethyl 3-[2-(4-cyanophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-(4-cyanophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(4-cyanobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-cyanophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-cyanobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-cyanobenzoyl)imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H17N3O3S/c1-2-26-18(24)11-12-23-16-5-3-4-6-17(16)27-20(23)22-19(25)15-9-7-14(13-21)8-10-15/h3-10H,2,11-12H2,1H3