ethyl 3-[2-(4-methoxyphenyl)carbonylimino-6-methyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-(4-methoxyphenyl)carbonylimino-6-methyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(4-methoxybenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-methoxyphenyl)-oxomethyl]imino-6-methyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-methoxybenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(6-methyl-2-p-anisoylimino-1,3-benzothiazol-3-yl)propionic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-4-27-19(24)11-12-23-17-10-5-14(2)13-18(17)28-21(23)22-20(25)15-6-8-16(26-3)9-7-15/h5-10,13H,4,11-12H2,1-3H3