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

Systemtic Name: methyl 2-[2-(1,2-oxazol-5-ylcarbonylimino)-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-isopropyl-2-(isoxazole-5-carbonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[5-isoxazolyl(oxo)methyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,2-oxazole-5-carbonylimino)-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-isopropyl-2-(isoxazole-5-carbonylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4S/c1-10(2)11-4-5-12-14(8-11)25-17(20(12)9-15(21)23-3)19-16(22)13-6-7-18-24-13/h4-8,10H,9H2,1-3H3