ethyl 2-[5,7-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)carbonylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5,7-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)carbonylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[5,7-dimethyl-2-(3-methylisoxazole-5-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,7-dimethyl-2-[(3-methyl-5-isoxazolyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5,7-dimethyl-2-(3-methyl-1,2-oxazole-5-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5,7-dimethyl-2-(3-methylisoxazole-5-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC(=CC(=C2SC1=NC(=O)C3=CC(=NO3)C)C)C

Isomeric SMILES

CCOC(=O)CN1C2=CC(=CC(=C2SC1=NC(=O)C3=CC(=NO3)C)C)C

InChI

InChI=1S/C18H19N3O4S/c1-5-24-15(22)9-21-13-7-10(2)6-11(3)16(13)26-18(21)19-17(23)14-8-12(4)20-25-14/h6-8H,5,9H2,1-4H3