methyl 3-[2-(4-cyanophenyl)carbonylimino-5-methoxy-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(4-cyanophenyl)carbonylimino-5-methoxy-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(4-cyanobenzoyl)imino-5-methoxy-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-cyanophenyl)-oxomethyl]imino-5-methoxy-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-cyanobenzoyl)imino-5-methoxy-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-cyanobenzoyl)imino-5-methoxy-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=NC(=O)C3=CC=C(C=C3)C#N)N2CCC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=NC(=O)C3=CC=C(C=C3)C#N)N2CCC(=O)OC

InChI

InChI=1S/C20H17N3O4S/c1-26-15-7-8-17-16(11-15)23(10-9-18(24)27-2)20(28-17)22-19(25)14-5-3-13(12-21)4-6-14/h3-8,11H,9-10H2,1-2H3