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

Systemtic Name: methyl 3-[2-(3,4-dimethylphenyl)carbonylimino-6-ethoxy-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(3,4-dimethylbenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(3,4-dimethylphenyl)-oxomethyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3,4-dimethylbenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(3,4-dimethylbenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]propionic acid methyl 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)CCC(=O)OC

Isomeric SMILES

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

InChI

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