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

Systemtic Name: ethyl 2-[2-(4-ethanoylphenyl)carbonylimino-4,6-dimethyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-acetylbenzoyl)imino-4,6-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-acetylphenyl)-oxomethyl]imino-4,6-dimethyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-acetylbenzoyl)imino-4,6-dimethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-acetylbenzoyl)imino-4,6-dimethyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)C(=O)C)C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)C(=O)C)C)C

InChI

InChI=1S/C22H22N2O4S/c1-5-28-19(26)12-24-20-14(3)10-13(2)11-18(20)29-22(24)23-21(27)17-8-6-16(7-9-17)15(4)25/h6-11H,5,12H2,1-4H3