ethyl 2-[6-butyl-2-[(3-methyl-1,2-oxazol-5-yl)carbonylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-butyl-2-[(3-methyl-1,2-oxazol-5-yl)carbonylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-butyl-2-(3-methylisoxazole-5-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-butyl-2-[(3-methyl-5-isoxazolyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-butyl-2-(3-methyl-1,2-oxazole-5-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-butyl-2-(3-methylisoxazole-5-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=NO3)C)S2)CC(=O)OCC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=NO3)C)S2)CC(=O)OCC

InChI

InChI=1S/C20H23N3O4S/c1-4-6-7-14-8-9-15-17(11-14)28-20(23(15)12-18(24)26-5-2)21-19(25)16-10-13(3)22-27-16/h8-11H,4-7,12H2,1-3H3