methyl 3-(2-methylsulfanylethyl)-2-(1,2-oxazol-5-ylcarbonylimino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methylsulfanylethyl)-2-(1,2-oxazol-5-ylcarbonylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(isoxazole-5-carbonylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[5-isoxazolyl(oxo)methyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylsulfanylethyl)-2-(1,2-oxazole-5-carbonylimino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(isoxazole-5-carbonylimino)-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C16H15N3O4S2 MolecularWeight: 377.438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4S2/c1-22-15(21)10-3-4-11-13(9-10)25-16(19(11)7-8-24-2)18-14(20)12-5-6-17-23-12/h3-6,9H,7-8H2,1-2H3