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

Systemtic Name: ethyl 2-[6-acetamido-2-(3,4-dimethylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-acetamido-2-(3,4-dimethylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[(3,4-dimethylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-acetamido-2-(3,4-dimethylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(3,4-dimethylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S/c1-5-29-20(27)12-25-18-9-8-17(23-15(4)26)11-19(18)30-22(25)24-21(28)16-7-6-13(2)14(3)10-16/h6-11H,5,12H2,1-4H3,(H,23,26)