2-[2-(3,5-dimethoxyphenyl)carbonylimino-5,7-dimethyl-1,3-benzothiazol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(3,5-dimethoxyphenyl)carbonylimino-5,7-dimethyl-1,3-benzothiazol-3-yl]ethanoic acid Openeye Name: 2-[2-(3,5-dimethoxybenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid CAS Name: 2-[2-[(3,5-dimethoxyphenyl)-oxomethyl]imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid IUPAC Name: 2-[2-(3,5-dimethoxybenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid Traditional Name: 2-[2-(3,5-dimethoxybenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid Formula: C20H20N2O5S MolecularWeight: 400.4482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC(=CC(=C3)OC)OC)S2)CC(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC(=CC(=C3)OC)OC)S2)CC(=O)O)C

InChI

InChI=1S/C20H20N2O5S/c1-11-5-12(2)18-16(6-11)22(10-17(23)24)20(28-18)21-19(25)13-7-14(26-3)9-15(8-13)27-4/h5-9H,10H2,1-4H3,(H,23,24)