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

Systemtic Name: methyl 2-[2-(4-ethanoylphenyl)carbonylimino-4,6-dimethyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=NC(=O)C3=CC=C(C=C3)C(=O)C)N2CC(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=NC(=O)C3=CC=C(C=C3)C(=O)C)N2CC(=O)OC)C

InChI

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