methyl 3-[2-(2,3-dimethoxyphenyl)carbonylimino-6-methyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(2,3-dimethoxyphenyl)carbonylimino-6-methyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(2,3-dimethoxybenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(2,3-dimethoxyphenyl)-oxomethyl]imino-6-methyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2,3-dimethoxybenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(6-methyl-2-o-veratroylimino-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C(=CC=C3)OC)OC)S2)CCC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C(=CC=C3)OC)OC)S2)CCC(=O)OC

InChI

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