ethyl 3-(2-methylsulfanylethyl)-2-pentanoylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-methylsulfanylethyl)-2-pentanoylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-methylsulfanylethyl)-2-pentanoylimino-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-(1-oxopentylimino)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methylsulfanylethyl)-2-pentanoylimino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-valerylimino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H24N2O3S2 MolecularWeight: 380.52476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)C(=O)OCC)CCSC

Isomeric SMILES

CCCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)C(=O)OCC)CCSC

InChI

InChI=1S/C18H24N2O3S2/c1-4-6-7-16(21)19-18-20(10-11-24-3)14-9-8-13(12-15(14)25-18)17(22)23-5-2/h8-9,12H,4-7,10-11H2,1-3H3