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

Systemtic Name: ethyl 2-[6-chloranyl-2-(4-dimethylaminophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-chloro-2-[4-(dimethylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-chloro-2-[(4-dimethylaminophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-chloro-2-[4-(dimethylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-chloro-2-[4-(dimethylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C20H20ClN3O3S/c1-4-27-18(25)12-24-16-10-7-14(21)11-17(16)28-20(24)22-19(26)13-5-8-15(9-6-13)23(2)3/h5-11H,4,12H2,1-3H3