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

Systemtic Name: ethyl 3-[2-(4-dimethylaminophenyl)carbonylimino-6-methyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-[4-(dimethylamino)benzoyl]imino-6-methyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-dimethylaminophenyl)-oxomethyl]imino-6-methyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[4-(dimethylamino)benzoyl]imino-6-methyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[4-(dimethylamino)benzoyl]imino-6-methyl-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-5-28-20(26)12-13-25-18-11-6-15(2)14-19(18)29-22(25)23-21(27)16-7-9-17(10-8-16)24(3)4/h6-11,14H,5,12-13H2,1-4H3