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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)N(C)C)S2)CC(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)N(C)C)S2)CC(=O)OCC

InChI

InChI=1S/C22H25N3O3S/c1-5-15-7-12-18-19(13-15)29-22(25(18)14-20(26)28-6-2)23-21(27)16-8-10-17(11-9-16)24(3)4/h7-13H,5-6,14H2,1-4H3