ethyl 2-[2-(3,4-dimethylphenyl)carbonylimino-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(3,4-dimethylphenyl)carbonylimino-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(3,4-dimethylbenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3,4-dimethylphenyl)-oxomethyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3,4-dimethylbenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3,4-dimethylbenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=C(C=C3)C)C)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=C(C=C3)C)C)S2)CC(=O)OCC

InChI

InChI=1S/C22H24N2O4S/c1-5-27-17-9-10-18-19(12-17)29-22(24(18)13-20(25)28-6-2)23-21(26)16-8-7-14(3)15(4)11-16/h7-12H,5-6,13H2,1-4H3