methyl 3-[2-(3,5-dimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(3,5-dimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(3,5-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(3,5-dimethoxyphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3,5-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(3,5-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CCC(=O)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CCC(=O)OC)OC

InChI

InChI=1S/C20H20N2O5S/c1-25-14-10-13(11-15(12-14)26-2)19(24)21-20-22(9-8-18(23)27-3)16-6-4-5-7-17(16)28-20/h4-7,10-12H,8-9H2,1-3H3