methyl 2-[5,7-dimethyl-2-(2-methylsulfanylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5,7-dimethyl-2-(2-methylsulfanylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[5,7-dimethyl-2-(2-methylsulfanylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,7-dimethyl-2-[[2-(methylthio)phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5,7-dimethyl-2-(2-methylsulfanylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5,7-dimethyl-2-[2-(methylthio)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC=CC=C3SC)S2)CC(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC=CC=C3SC)S2)CC(=O)OC)C

InChI

InChI=1S/C20H20N2O3S2/c1-12-9-13(2)18-15(10-12)22(11-17(23)25-3)20(27-18)21-19(24)14-7-5-6-8-16(14)26-4/h5-10H,11H2,1-4H3