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

Systemtic Name: methyl 3-[2-(4-cyanophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H15N3O3S MolecularWeight: 365.4057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O3S/c1-25-17(23)10-11-22-15-4-2-3-5-16(15)26-19(22)21-18(24)14-8-6-13(12-20)7-9-14/h2-9H,10-11H2,1H3