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

Systemtic Name: methyl 2-[6-butyl-2-[(3-methyl-1,2-oxazol-5-yl)carbonylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-4-5-6-13-7-8-14-16(10-13)27-19(22(14)11-17(23)25-3)20-18(24)15-9-12(2)21-26-15/h7-10H,4-6,11H2,1-3H3