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

Systemtic Name: ethyl 2-[2-(4-ethanoylphenyl)carbonylimino-4-methyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-acetylbenzoyl)imino-4-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-acetylphenyl)-oxomethyl]imino-4-methyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-acetylbenzoyl)imino-4-methyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-acetylbenzoyl)imino-4-methyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c1-4-27-18(25)12-23-19-13(2)6-5-7-17(19)28-21(23)22-20(26)16-10-8-15(9-11-16)14(3)24/h5-11H,4,12H2,1-3H3