ethyl 3-[6-methoxy-2-(3-methoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[6-methoxy-2-(3-methoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[6-methoxy-2-(3-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-methoxy-2-[(3-methoxyphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-methoxy-2-(3-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(2-m-anisoylimino-6-methoxy-1,3-benzothiazol-3-yl)propionic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)OC)SC1=NC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)OC)SC1=NC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H22N2O5S/c1-4-28-19(24)10-11-23-17-9-8-16(27-3)13-18(17)29-21(23)22-20(25)14-6-5-7-15(12-14)26-2/h5-9,12-13H,4,10-11H2,1-3H3