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

Systemtic Name: methyl 2-[6-ethyl-2-(1,2-oxazol-5-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-ethyl-2-(isoxazole-5-carbonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethyl-2-[5-isoxazolyl(oxo)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-ethyl-2-(1,2-oxazole-5-carbonylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethyl-2-(isoxazole-5-carbonylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=NO3)S2)CC(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=NO3)S2)CC(=O)OC

InChI

InChI=1S/C16H15N3O4S/c1-3-10-4-5-11-13(8-10)24-16(19(11)9-14(20)22-2)18-15(21)12-6-7-17-23-12/h4-8H,3,9H2,1-2H3