ethyl 3-[2-(2,5-dimethylphenyl)carbonylimino-6-methoxy-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-(2,5-dimethylphenyl)carbonylimino-6-methoxy-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(2,5-dimethylbenzoyl)imino-6-methoxy-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(2,5-dimethylphenyl)-oxomethyl]imino-6-methoxy-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2,5-dimethylbenzoyl)imino-6-methoxy-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(2,5-dimethylbenzoyl)imino-6-methoxy-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)OC)SC1=NC(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)OC)SC1=NC(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H24N2O4S/c1-5-28-20(25)10-11-24-18-9-8-16(27-4)13-19(18)29-22(24)23-21(26)17-12-14(2)6-7-15(17)3/h6-9,12-13H,5,10-11H2,1-4H3