ethyl 2-[2-(3,4-dimethylphenyl)carbonylimino-4-methoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(3,4-dimethylphenyl)carbonylimino-4-methoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(3,4-dimethylbenzoyl)imino-4-methoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3,4-dimethylphenyl)-oxomethyl]imino-4-methoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3,4-dimethylbenzoyl)imino-4-methoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3,4-dimethylbenzoyl)imino-4-methoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC(=C(C=C3)C)C)OC

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC(=C(C=C3)C)C)OC

InChI

InChI=1S/C21H22N2O4S/c1-5-27-18(24)12-23-19-16(26-4)7-6-8-17(19)28-21(23)22-20(25)15-10-9-13(2)14(3)11-15/h6-11H,5,12H2,1-4H3